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• 5-Fluorouracil

IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione | CAS Registry Number: 51-21-8
Synonyms: fluorouracil, Fluoroplex, Adrucil, Efudex, Fluoroblastin, Kecimeton, Carzonal, Fluracil, Timazin, Arumel, Efudix, Fluril, Phthoruracil, Fluracilum, Queroplex, Carac, Ulup, Fluro Uracil, Fluorouracilum, Fluroblastin

Molecular Formula:	C₄H₃FN₂O₂	Molecular Weight:	130.077223 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: GHASVSINZRGABV-UHFFFAOYSA-N

• 7-Keto-DHEA

IUPAC Name: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 1156-92-9
Synonyms: 4-Androstenediol, Androst-4-ene-3beta,17beta-diol, NSC12458, 3beta,17beta-Dihydroxy-4-androstene, CID136297, delta4-Androstene-3beta,17beta-diol, NSC 12458, DB01526, Androst-4-ene-3.beta.,17.beta.-diol, 3.beta.,17.beta.-Dihydroxy-4-androstene, Androst-4-ene-3beta,17beta-diol (8CI), .DELTA.4-Androstene-3.beta.,17.beta.-diol, C14210, Androst-4-ene-3,17-diol, (3.beta.,17.beta.)-, Androst-4-ene-3,17-diol, (3beta,17beta)- (9CI), (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol, TES

Molecular Formula:	C₁₉H₃₀O₂	Molecular Weight:	290.440300 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: BTTWKVFKBPAFDK-LOVVWNRFSA-N

• 2,4-Dichloroacetophenone

IUPAC Name: 2-chloro-1-(4-chlorophenyl)ethanone | CAS Registry Number: 937-20-2
Synonyms: 2,4'-Dichloroacetophenone, p-Chlorophenacyl chloride, 4-Chlorophenacyl chloride, 392006_ALDRICH, Acetophenone, 2,4'-dichloro-, 2-chloro-1-(4-chlorophenyl)ethanone, .alpha.-Chloro-p-chloroacetophenone, .omega.-Chloro-p-chloroacetophenone, NSC41669, EINECS 213-323-9, Halomethyl Phenyl Ketone deriv. 22, ZINC01673522, Ethanone, 2-chloro-1-(4-chlorophenyl)-, InChI=1/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H

Molecular Formula:	C₈H₆Cl₂O	Molecular Weight:	189.038640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: FWDFNLVLIXAOMX-UHFFFAOYSA-N

• 10-Deacetyl Baccatin III

Synonyms: 10-Deacetylbaccatin III, D3676_SIGMA, STOCK1N-38774, CHEBI:18193, 10-Deacetylbaccatin- III from Taxus baccata, C11700, 5beta,20-epoxy-1,7beta,10beta,13alpha-tetrahydroxy-9-oxotax-11-ene-2alpha,4alpha-diyl 4-acetate 2-benzoate, 7,11-Methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-

Molecular Formula:	C₂₉H₃₆O₁₀	Molecular Weight:	544.590140 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: YWLXLRUDGLRYDR-ZHPRIASZSA-N

• 4-Hydroxy Cinnamic Acid

IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid | CAS Registry Number: 7400-08-0
Synonyms: p-coumaric acid, p-Hydroxycinnamic acid, 4-Coumaric acid, Naringeninic acid, Para-Coumaric acid, p-Cumaric acid, 4-Hydroxycinnamic acid, trans-p-Coumaric acid, 4-coumarate, Hydroxycinnamic acid, (E)-p-Coumaric acid, 4-Hydroxycinnamate, trans-p-Coumarinic acid, p-Coumaric acid,trans, Cinnamic acid, p-hydroxy-, p-Hydroxyphenylacrylic acid, trans-4-Hydroxycinnamic acid, trans-4-coumaric acid, (E)-p-Hydroxycinnamic acid, trans-p-Hydroxycinnamic acid

Molecular Formula:	C₉H₈O₃	Molecular Weight:	164.158020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N

• 4-Trifluoromethylbenzoic Acid

IUPAC Name: 4-(trifluoromethyl)benzoic acid | CAS Registry Number: 455-24-3
Synonyms: 4-(Trifluoromethyl)benzoic acid, Enamine_005626, 4-Carboxybenzotrifluoride, NCIOpen2_001327, 4-TRIFLUOROMETHYLBENZOIC ACID, 196894_ALDRICH, P-CARBOXYBENZOTRIFLUORIDE, 91780_FLUKA, Benzoic acid, 4-(trifluoromethyl)-, JRD-0668, NSC88327, EINECS 207-242-8, NSC 88327, SBB008571, alpha,alpha,alpha-Trifluoro-p-toluic acid, TL8002482, .alpha.,.alpha.,.alpha.-trifluoro-p-toluic acid, 3S210967, InChI=1/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13

Molecular Formula:	C₈H₅F₃O₂	Molecular Weight:	190.119310 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: SWKPKONEIZGROQ-UHFFFAOYSA-N

• 3-Fluorobenzotrifluoride

IUPAC Name: 1-fluoro-3-(trifluoromethyl)benzene | CAS Registry Number: 401-80-9
Synonyms: m-Fluorobenzotrifluoride, Trifluoromethyl-3-fluorobenzene, 219371_ALDRICH, 1-Fluoro-3-(trifluoro-methyl)benzene, alpha,alpha,alpha,3-Tetrafluorotoluene, JRD-0179, NSC10315, EINECS 206-933-1, 1-(Trifluoromethyl)-3-fluorobenzene, 1-Fluoro-3-(trifluoromethyl)benzene, Benzene, 1-fluoro-3-(trifluoromethyl)-, ST5406529, TL8002908, m,.alpha.,.alpha.,.alpha.-Tetrafluorotoluene, Toluene, .alpha.,.alpha.,.alpha.-m-tetrafluoro-, Toluene, m,.alpha.,.alpha.,.alpha.-tetrafluoro-, InChI=1/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4

Molecular Formula:	C₇H₄F₄	Molecular Weight:	164.100273 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: GBOWGKOVMBDPJF-UHFFFAOYSA-N

• 2-Hydroxy-5-Methyl Acetophenone

IUPAC Name: 1-(2-hydroxy-5-methylphenyl)ethanone | CAS Registry Number: 1450-72-2
Synonyms: o-Acetyl-p-cresol, 1-Hydroxy-2-acetyl-4-methylbenzene, 2-Hydroxy-5-methylacetophenone, NCIOpen2_000252, 2-ACETYL-4-METHYLPHENOL, H37601_ALDRICH, 2'-Hydroxy-5'-methylacetophenone, Ethanone, 1-(2-hydroxy-5-methylphenyl)-, NSC26458, NSC63363, EINECS 215-915-2, ZINC00088245, Acetophenone, 2'-hydroxy-5'-methyl-, SDCCGMLS-0065880.P001, A2494/0106055, InChI=1/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YNPDFBFVMJNGKZ-UHFFFAOYSA-N

• 3,4-Dimethoxy Cinnamic Acid

IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 2316-26-9
Synonyms: Dimethyl caffeic acid, Dimethylcaffeic acid, Caffeic acid dimethyl ether, Spectrum5_000142, 3,4-DIMETHOXYCINNAMIC ACID, 3, 4-Dimethoxycinnamic acid, BSPBio_001672, SPECTRUM210567, MLS000570053, D133809_ALDRICH, SPECTRUM1505130, NSC4323, ARONIS023564, Cinnamic acid, 3,4-dimethoxy-, AIDS021439, AIDS-021439, ALBB-004705, NSC43569, (E)-3',4'-Dimethoxycinnamic acid, EINECS 238-801-4

Molecular Formula:	C₁₁H₁₂O₄	Molecular Weight:	208.210580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: HJBWJAPEBGSQPR-GQCTYLIASA-N

• 3,5-DihydroxyAcetophenone

IUPAC Name: 1-(3,5-dihydroxyphenyl)ethanone | CAS Registry Number: 51863-60-6
Synonyms: 3,5-Dihydroxyacetophenone, 3',5'-Dihydroxyacetophenone, 224596_ALDRICH, ZINC02242686, EINECS 257-480-1, CID103993, 1-(3,5-Dihydroxyphenyl)ethan-1-one, TL806239, D-3420, InChI=1/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WQXWIKCZNIGMAP-UHFFFAOYSA-N

• 1,3,5-Trichlorobenzene (TCB)

IUPAC Name: 1,3,5-trichlorobenzene | CAS Registry Number: 108-70-3
Synonyms: s-Trichlorobenzene, sym-Trichlorobenzene, 1,3,5-TRICHLOROBENZENE, Benzene, 1,3,5-trichloro-, 1,3,5-Trichlorbenzol, CCRIS 5946, HSDB 132, 1,3,5-TRICHLORO-BENZENE, T54607_ALDRICH, 36555_RIEDEL, 442235_SUPELCO, NSC 4389, CHEBI:49916, EINECS 203-608-6, NSC4389, LS-468, AI3-22031, DB03836, NCGC00091181-01, TL806428

Molecular Formula:	C₆H₃Cl₃	Molecular Weight:	181.447020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: XKEFYDZQGKAQCN-UHFFFAOYSA-N

• 1-Ethyl-(3 Dimethylamino)Propyl Carbodiamide

IUPAC Name: 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine hydrochloride | CAS Registry Number: 25952-53-8
Synonyms: EDCI, EDAC, Hydrochloride, EDAP, WLN: 2NCN3N1&1 &GH, NSC97064, [3-(Dimethylamino)propyl]ethyl carbodiimide hydrochloride, 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride, 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide, HCl, 1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride, N-ETHYL-N'(3-DIMETHYLAMINOPROPYL) CARBODIIMIDE HCl, 1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide hydrochloride, 1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide monohydrochloride, 1-Ethyl-3-[(3-(dimethylamino)propyl]carbodiimide hydrochloride, 1-Ethyl-3-[3'-(dimethylamino)propyl]carbodiimide hydrochloride, Carbodiimide, [3-(dimethylamino)propyl]ethyl-, hydrochloride, N-[3-(Dimethylamino)propyl]-N'-ethylcarbodiimide hydrochloride, N-Ethyl-N'-(3-dimethylaminopropyl)carbodiimide hydrochloride, N-Ethyl-N'-[3-(dimethylamino)propyl]carbodiimide hydrochloride, 1-Ethyl-3-[3-(dimethylamino)propyl]carbodiimide monohydrochloride, CARBODIIMIDE, (3-DIMETHYLAMINOPROPYL)ETHYL-, HYDROCHLORIDE

Molecular Formula:	C₈H₁₈ClN₃	Molecular Weight:	191.701620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FPQQSJJWHUJYPU-UHFFFAOYSA-N

• 2,2,3,3-Tetrafluoropropanol

IUPAC Name: 2,2,3,3-tetrafluoropropan-1-ol | CAS Registry Number: 76-37-9
Synonyms: Tetrafluoropropyl alcohol, 2,2,3,3-Tetrafluoro-1-propanol, WLN: Q1XFFYFF, 2,2,3,3-Tetrafluoropropyl alcohol, NSC 113, 1,1,3-Trihydroperfluoro-1-propanol, 326275_ALDRICH, NSC113, 1-Propanol, 2,2,3,3-tetrafluoro-, 1H,1H,3H-Tetrafluoro-1-propanol, 2,2,3,3-Tetrafluoropropan-1-ol, 87270_FLUKA, EINECS 200-955-5, CID6441, 2,2,3,3-TETRAFLUOROPROPANOL, BB_SC-0393, BRN 1738264, ZINC01555301, AI3-23784, T107

Molecular Formula:	C₃H₄F₄O	Molecular Weight:	132.056873 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: NBUKAOOFKZFCGD-UHFFFAOYSA-N

• 2-[(1,1-Dimethylethyl)-Imino]-Tetrehydro-3-(1-Methylethyl)-5-Phenyl-4H-1,3,5-Thiadiazin-4- One

IUPAC Name: 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one | CAS Registry Number: 69327-76-0
Synonyms: Applaud, BUPROFEZIN, Buprofezine, (E)-buprofezin, (Z)-buprofezin, Buprofezin [BSI:ISO], Buprofezine [ISO-French], Buprofezine [ISO-French], NNI 750, 37886_RIEDEL, CHEBI:3218, PP618, CHEBI:39380, CHEBI:39381, CID50367, BRN 1010518, AI3-29749, NCGC00163828-01, NCGC00163828-02, NCGC00163828-03

Molecular Formula:	C₁₆H₂₃N₃OS	Molecular Weight:	305.438320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PRLVTUNWOQKEAI-UHFFFAOYSA-N

• 2-Bromopyridine

IUPAC Name: 2-bromopyridine | CAS Registry Number: 109-04-6
Synonyms: 2-BROMOPYRIDINE, o-Bromopyridine, Pyridine, 2-bromo-, 2-Pyridyl bromide, beta-Bromopyridine, alpha-Bromopyridine, .alpha.-Bromopyridine, .beta.-Bromopyridine, PYRIDINE,2-BROMO, WLN: T6NJ BE, B80100_ALDRICH, NSC 8031, CHEBI:51574, EINECS 203-641-6, NSC8031, AIDS020378, AIDS-020378, BRN 0105789, SBB003999, ZINC00158586

Molecular Formula:	C₅H₄BrN	Molecular Weight:	157.995960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: IMRWILPUOVGIMU-UHFFFAOYSA-N

• 3,5-Dichloroaniline

IUPAC Name: 3,5-dichloroaniline | CAS Registry Number: 626-43-7
Synonyms: 3,5-DICHLOROANILINE, m-Dichloroaniline, Aniline, 3,5-dichloro-, 3,5-Dichloranilin, Benzenamine, 3,5-dichloro-, 3,5-Dichlorobenzenamine, CCRIS 2396, D55792_ALDRICH, HSDB 5437, 36704_RIEDEL, CHEBI:19904, EINECS 210-948-9, c0636, SBB008349, ZINC00157609, FR-1270, LS-2166, NCGC00091306-01, TL8004222, InChI=1/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H

Molecular Formula:	C₆H₅Cl₂N	Molecular Weight:	162.016600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: UQRLKWGPEVNVHT-UHFFFAOYSA-N

• 3,6-Dihydroxypyridazine

IUPAC Name: 1,2-dihydropyridazine-3,6-dione | CAS Registry Number: 123-33-1
Synonyms: Vondalhyde, Antergon, Antyrost, Malazide, Stuntman, Regulox, Vondrax, Malzid, Retard, MALEIC HYDRAZIDE, Sprout/off, Maleic hydrazine, De-sprout, Sucker-Stuff, Super-de-sprout, Sprout-Stop, Burtolin, Chemform, Unriprim, Milurit

Molecular Formula:	C₄H₄N₂O₂	Molecular Weight:	112.086760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: BGRDGMRNKXEXQD-UHFFFAOYSA-N

• 3-Chloroacetophenone

IUPAC Name: 1-(3-chlorophenyl)ethanone | CAS Registry Number: 99-02-5
Synonyms: 3'-Chloroacetophenone, omega-Chloroacetophenone, CHLOROACETOPHENONE, Ambap7200, Acetophenone, 3'-chloro-, Ethanone, 1-(3-chlorophenyl)-, 1-(3-Chlorophenyl)ethanone, CCRIS 638, 288799_ALDRICH, 22845_FLUKA, EINECS 202-721-8, ZINC02039606, Ethanone, 1-phenyl-, monochloro deriv, Ethanone, 1-phenyl-, monochloro deriv., LS-67567, InChI=1/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H, 1341-24-8, 29731-15-5

Molecular Formula:	C₈H₇ClO	Molecular Weight:	154.593580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: UUWJBXKHMMQDED-UHFFFAOYSA-N

• 4-Chloropyridine Hydrochloride

IUPAC Name: 4-chloropyridine hydrochloride | CAS Registry Number: 7379-35-3
Synonyms: 4-CHLOROPYRIDINE, 4-Chloropyridine hydrochloride, 4-CHLOROPYRIDINE HCl, CCRIS 1716, C70223_ALDRICH, Pyridine, 4-chloro-, hydrochloride, 26300_FLUKA, EINECS 230-946-1, NSC 78418, NSC78418, C119, SL-00427, LS-188403

Molecular Formula:	C₅H₅Cl₂N	Molecular Weight:	150.005900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XGAFCCUNHIMIRV-UHFFFAOYSA-N

• 4-Methoxy Acetophenone

IUPAC Name: 1-(4-methoxyphenyl)ethanone | CAS Registry Number: 100-06-1
Synonyms: Acetanisole, 4-Acetylanisole, Linarodin, Novatone, Vananote, 4'-Methoxyacetophenone, p-Methoxyacetophenone, P-ACETYLANISOLE, 4-Methoxyacetophenone, Acetophenone, 4'-methoxy-, 1-(4-Methoxyphenyl)ethanone, Ethanone, 1-(4-methoxyphenyl)-, 4-Methoxy-acetophenone, Methyl p-methoxyphenyl ketone, p-Methoxyphenyl methyl ketone, 4-Methoxyphenyl methyl ketone, Anisyl, p-, methyl ketone, 4-Methoxyacetofenon [Czech], Methyl 4-methoxyphenyl ketone, FEMA No. 2005

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NTPLXRHDUXRPNE-UHFFFAOYSA-N

• 2-Trifluoromethyl Benzaldehyde

IUPAC Name: 2-(trifluoromethyl)benzaldehyde | CAS Registry Number: 447-61-0
Synonyms: 2-(Trifluoromethyl)benzaldehyde, Benzaldehyde, 2-(trifluoromethyl)-, o-(Trifluoromethyl)benzaldehyde, 250694_ALDRICH, JRD-0380, EINECS 207-185-9, ZINC00164879, alpha,alpha,alpha-Trifluoro-o-tolualdehyde, ST5213360, TL8003124, o-Tolualdehyde, .alpha.,.alpha.,.alpha.-trifluoro-, InChI=1/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5

Molecular Formula:	C₈H₅F₃O	Molecular Weight:	174.119910 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ZDVRPKUWYQVVDX-UHFFFAOYSA-N

• 2,2,3,3,4,4,5,5Octafluoro-1-pentanol

IUPAC Name: 2,2,3,3,4,4,5,5-octafluoropentan-1-ol | CAS Registry Number: 355-80-6
Synonyms: 1,1,5-Trihydrooctafluoropentan-1-ol, WLN: Q1XFFXFFXFFYFF, 1H,1H,5H-Octafluoro-1-pentanol, NSC 114, 269433_ALDRICH, NSC114, 1,1,5-Trihydrooctafluoropentyl alcohol, EINECS 206-593-4, 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol, 2,2,3,3,4,4,5,5-Octafluoropentanol, BRN 1773494, alpha,alpha,omega-Trihydroperfluoropentanol, 2,2,3,3,4,4,5,5-Octafluoropentyl alcohol, AI3-23780, 1-PENTANOL, 2,2,3,3,4,4,5,5-OCTAFLUORO-, 2,2,3,3,4,4,5,5-Octafluoropentan-1-ol, O101, 1,1,5-TRIHYDROPER FLUORO PENTANOL, LS-101908, 4-01-00-01648 (Beilstein Handbook Reference)

Molecular Formula:	C₅H₄F₈O	Molecular Weight:	232.071886 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: JUGSKHLZINSXPQ-UHFFFAOYSA-N

• 2,2-Dibromo-2-Cyanoacetamide

IUPAC Name: 2,2-dibromo-2-cyanoacetamide | CAS Registry Number: 10222-01-2
Synonyms: Dbnpa, Dibromocyanoacetamide, XD-7287l Antimicrobial, Caswell No. 287AA, NCIOpen2_006184, 2,2-Dibromo-3-nitrilopropionamide, 2,2-DIBROMO-2-CYANOACETAMIDE, Acetamide, 2,2-dibromo-2-cyano-, HSDB 6982, Dibromocyano acetic acid amide, 2,2-Dibromo-2-carbamoylacetonitrile, 540978_ALDRICH, Acetamide, 2-cyano-2,2-dibromo-, XD 7287L, EINECS 233-539-7, XD-1603, NSC 98283, EPA Pesticide Chemical Code 101801, CID25059, NSC98283

Molecular Formula:	C₃H₂Br₂N₂O	Molecular Weight:	241.868780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UUIVKBHZENILKB-UHFFFAOYSA-N

• 2,3-Xylidine

IUPAC Name: 2,3-dimethylaniline | CAS Registry Number: 87-59-2
Synonyms: 2,3-Dimethylaniline, ortho-Xylidine, o-Xylidine, 3-Amino-o-xylene, 2,3-XYLIDINE, 2,3-Xylylamine, Benzenamine, 2,3-dimethyl-, CN-Cbl, 2,3-Dimethylbenzenamine, 2,3-Dimethylphenylamine, CCRIS 4739, Benzenamine, ar,ar-dimethyl-, HSDB 2091, 1-Amino-2,3-dimethylbenzene, D145807_ALDRICH, Benzene, 1-amino-2,3-dimethyl-, EINECS 201-755-0, BRN 0742174, ZINC03860406, LS-1866

Molecular Formula:	C₈H₁₁N	Molecular Weight:	121.179640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VVAKEQGKZNKUSU-UHFFFAOYSA-N

• 2,4-Dimethylaniline

IUPAC Name: 2,4-dimethylaniline | CAS Registry Number: 95-68-1
Synonyms: m-Xylidine, 2,4-XYLIDINE, meta-Xylidine, m-4-Xylidine, 2-Methyl-p-toluidine, 4-Methyl-o-toluidine, m-Xylidine (VAN), Benzenamine, 2,4-dimethyl-, 4-Amino-1,3-xylene, 4-Amino-m-xylene, 2,4-Dimethylbenzenamine, 4-Amino-3-methyltoluene, Aniline, 2,4-dimethyl-, 2,4-Dimethylphenylamine, 1-Amino-2,4-dimethylbenzene, 4-Amino-1,3-dimethylbenzene, 2,4-dimethyl-Benzenamine, CCRIS 254, HSDB 2092, WLN: ZR B1 D1

Molecular Formula:	C₈H₁₁N	Molecular Weight:	121.179640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: CZZZABOKJQXEBO-UHFFFAOYSA-N

• 2-Chloro-4-Pyridineamine

IUPAC Name: 2-chloropyridin-4-amine | CAS Registry Number: 14432-12-3
Synonyms: 4-Amino-2-chloropyridine, 2-Chloropyridin-4-amine, 4-Pyridinamine, 2-chloro-, 2-Chloro-4-aminopyridine, 2-Chloro-pyridin-4-ylamine, TPC-PY030, 522937_ALDRICH, EINECS 238-403-0, SBB004235, FS000027, TL806262

Molecular Formula:	C₅H₅ClN₂	Molecular Weight:	128.559600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: BLBDTBCGPHPIJK-UHFFFAOYSA-N

• 3,5-Diacetoxy Acetophenone

IUPAC Name: (3-acetyl-5-acetyloxyphenyl) acetate | CAS Registry Number: 35086-59-0
Synonyms: ZINC00056415, 5-Acetyl-1,3-phenylene diacetate, EINECS 252-354-2, CID688015, ST5307302

Molecular Formula:	C₁₂H₁₂O₅	Molecular Weight:	236.220680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: QODJHYBESCIPOG-UHFFFAOYSA-N

• 5-Cyanoindole

IUPAC Name: 1H-indole-5-carbonitrile | CAS Registry Number: 15861-24-2
Synonyms: 1H-Indole-5-carbonitrile, INDOLE-5-CARBONITRILE, C92006_ALDRICH, EINECS 239-986-4, SBB004148, ZINC00157017, LS-82429, TL8001198, C-8840, InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11

Molecular Formula:	C₉H₆N₂	Molecular Weight:	142.157340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YHYLDEVWYOFIJK-UHFFFAOYSA-N

• 5-Nitroindole

IUPAC Name: 5-nitro-1H-indole | CAS Registry Number: 6146-52-7
Synonyms: 5-Nitro-1H-indole, 1H-Indole, 5-nitro-, INDOLE, 5-NITRO-, CCRIS 3255, Oprea1_492280, N17602_ALDRICH, EINECS 228-153-0, 1H-Indole, 5-nitro- (9CI), NSC520594, ZINC00105247, LS-83315, SB 01605, ST5406179, TL8003894, N-3000

Molecular Formula:	C₈H₆N₂O₂	Molecular Weight:	162.145440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OZFPSOBLQZPIAV-UHFFFAOYSA-N

• 3-Aminobenzonitrile

IUPAC Name: 3-aminobenzonitrile | CAS Registry Number: 2237-30-1
Synonyms: 3-Cyanoaniline, m-Cyanoaniline, M-AMINOBENZONITRILE, Benzonitrile, m-amino-, m-Anthranilonitrile, Benzonitrile, 3-amino-, 164771_ALDRICH, NSC 7626, 07002_FLUKA, Benzonitrile, 3-amino- (9CI), EINECS 218-800-5, NSC7626, AIDS020235, AIDS-020235, BRN 0636498, ZINC00388409, LS-38620, TL8001873, 4-14-00-01095 (Beilstein Handbook Reference), InChI=1/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H

Molecular Formula:	C₇H₆N₂	Molecular Weight:	118.135940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NJXPYZHXZZCTNI-UHFFFAOYSA-N

• 1,2-Dibromo-2,4-dicyanobutane

IUPAC Name: 2-bromo-2-(bromomethyl)pentanedinitrile | CAS Registry Number: 35691-65-7
Synonyms: Bromothalonil, Tektamer, Metacide 38, Tektamer 38, Tektamer 38AD, BBMG, MDBGN, Tuopai DM 01, Caswell No. 114G, Methyldibromoglutaronitrile, Methyldibromo glutaronitrile, HSDB 7313, 2-Bromo-2-bromoethylglutaronitrile, EINECS 252-681-0, 2-Bromo-2-(bromomethyl)glutaronitrile, EPA Pesticide Chemical Code 111001, Glutaronitrile, 2-bromo-2-(bromomethyl)-, 2-Bromo-2-(bromomethyl) glutaronitrile, Pentanedinitrile, 2-bromo-2-(bromomethyl)-, 2-Bromo-2-(bromomethyl) pentanedinitrile

Molecular Formula:	C₆H₆Br₂N₂	Molecular Weight:	265.933240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DHVLDKHFGIVEIP-UHFFFAOYSA-N

• 2-Amino-4-hydroxyethylaminoanisole sulfate

IUPAC Name: 2-(3-amino-4-methoxyanilino)ethanol;sulfuric acid | CAS Registry Number: 83763-48-8
Synonyms: 5-(2-Hydroxyethylamino)-2-methoxylaniline sulfate, 2-Amino-4-hydroxyethylamino anisole sulfate, SureCN143437, AGN-PC-001GRW, KSC448A6J, CTK3E8064, MolPort-000-001-085, ACT07275, AKOS015856651, AG-H-34254, AC-18091, AK-32269, BR-32269, KB-73003, AB1008668, KB-167145, TL8005493, ST51051661, 2-Methoxy-5-hydroxyethylamino aniline sulfate, 2-AMINO-4-HYDROXYETHYLAMINOANISOLESULFATE

Molecular Formula:	C₉H₁₆N₂O₆S	Molecular Weight:	280.298140 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: GWHLYFOWAINYAH-UHFFFAOYSA-N

• 2-Chloroacetophenone

IUPAC Name: 2-chloro-1-phenylethanone | CAS Registry Number: 532-27-4
Synonyms: Phenacyl chloride, Tear Gas, Phenacylchloride, Mace, Chemical mace, Nutmeg butter, Nutmeg fat, Nutmeg oleoresin, Macis oil, Mace (lacrimator), Oil of nutmeg, Oil of mace, Oils, mace, Nutmeg butter fat, CN (lacrimator), 1-Chloroacetophenone, Nutmeg oil, fixed, Acetophenone, 2-chloro-, CHLOROACETOPHENONE, Fats, nutmeg butter

Molecular Formula:	C₈H₇ClO	Molecular Weight:	154.593580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: IMACFCSSMIZSPP-UHFFFAOYSA-N

• 3-Trifluoromethyl Acetophenone

IUPAC Name: 1-[3-(trifluoromethyl)phenyl]ethanone | CAS Registry Number: 349-76-8
Synonyms: 3'-(Trifluoromethyl)acetophenone, 3-Acetylbenzotrifluoride, 3-Trifluoromethylacetophenone, m-Trifluoromethylacetophenone, 233161_ALDRICH, NSC81888, 91745_FLUKA, CID67682, JRD-0181, NSC59177, EINECS 206-490-4, ZINC00163150, Ethanone, 1-(3-(trifluoromethyl)phenyl)-, Ethanone, 1-[3-(trifluoromethyl)phenyl]-, ST5406485, InChI=1/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H

Molecular Formula:	C₉H₇F₃O	Molecular Weight:	188.146490 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ABXGMGUHGLQMAW-UHFFFAOYSA-N

• 3-Trifluoromethyl Benzoic Acid

IUPAC Name: 3-(trifluoromethyl)benzoic acid | CAS Registry Number: 454-92-2
Synonyms: 3-(Trifluoromethyl)benzoic acid, 3-Carboxybenzotrifluoride, 3-Trifluoromethylbenzoate, m-CARBOXYBENZOTRIFLUORIDE, 188344_ALDRICH, m-(Trifluoromethyl)benzoic acid, 91770_FLUKA, AIDS018130, alpha,alpha,alpha-Trifluoro-m-toluic acid, AIDS-018130, JRD-0051, NSC43025, 3-TRIFLUOROMETHYLBENZOIC ACID, Benzoic acid, 3-(trifluoromethyl)-, EINECS 207-230-2, NSC 43025, SBB003661, alpha,alpha,alpha-Tri-fluoro-m-toluic acid, Benzoic acid, 3-(trifluoromethyl)- (9CI), TL8003158

Molecular Formula:	C₈H₅F₃O₂	Molecular Weight:	190.119310 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: FQXQBFUUVCDIRK-UHFFFAOYSA-N

• 4-[(3-Pyridinylcarbonyl)amino]-Butanoic Acid Monosodium Salt

IUPAC Name: sodium 4-(pyridine-3-carbonylamino)butanoate | CAS Registry Number: 62936-56-5
Synonyms: Pikamilone, Picamilon, Nicotinoyl-GABA sodium salt, CID3047131, LS-46432, N-Nicotinoyl-gamma-aminobutyric acid sodium salt, Monosodium 4-((3-pyridinylcarbonyl)amino)butanoate, N-(3-Pyridylcarbonyl)-4-aminobutyric acid sodium salt, Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monosodium salt

Molecular Formula:	C₁₀H₁₁N₂NaO₃	Molecular Weight:	230.195710 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: DGWZSECHAXUHPD-UHFFFAOYSA-M

• 1-Fluoronaphthalene

IUPAC Name: 1-fluoronaphthalene | CAS Registry Number: 321-38-0
Synonyms: Naphthalene, 1-fluoro-, 1-FLUORONAPHTHALENE, Fluoronaphthalene, alpha-Fluoronaphthalene, .alpha.-Fluoronaphthalene, 1-Fluornaftalen [Czech], WLN: L66J BF, 196657_ALDRICH, 442266_SUPELCO, NSC 4690, EINECS 206-287-0, NSC4690, JRD-1263, BRN 1906413, LS-94702, TL8002443, 4-05-00-01657 (Beilstein Handbook Reference), InChI=1/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7

Molecular Formula:	C₁₀H₇F	Molecular Weight:	146.160983 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: CWLKTJOTWITYSI-UHFFFAOYSA-N

• 2 3-Dichloro-1 4-Napthaquinone

IUPAC Name: 2,3-dichloronaphthalene-1,4-dione | CAS Registry Number: 117-80-6
Synonyms: Diclone, Sanquinon, Algistat, Uniroyal, Phygon, Quintar, Phygon paste, Phygon XL, DICHLONE, Dichlon, Compound 604, Dichloronaphthoquinone, Phygon seed protectant, 2,3-Dichloronaphthoquinone, Quintar 540F, U.s. rubber 604, Caswell No. 298, US Rubber 604, Dichlone [BSI:ISO], Latka 604 [Czech]

Molecular Formula:	C₁₀H₄Cl₂O₂	Molecular Weight:	227.043560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SVPKNMBRVBMTLB-UHFFFAOYSA-N

• 2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide

IUPAC Name: N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide | CAS Registry Number: 23184-66-9
Synonyms: BUTACHLOR, Machete, Machette, Rasayanchlor, Hiltachlor, Pillarsete, Amichlor, Bilchlor, Butaclor, Delchlor, Butanex, Weedout, Mach-Mach, Delchlor 5G, Machete (herbicide), Dow Formula 40, Gormel's Weed Kil, Caswell No. 119B, Home Use Weed Killer, Butachlor [ANSI:BSI:ISO]

Molecular Formula:	C₁₇H₂₆ClNO₂	Molecular Weight:	311.846840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HKPHPIREJKHECO-UHFFFAOYSA-N

• 2-Mercaptobenzothiazole

IUPAC Name: 3H-1,3-benzothiazole-2-thione | CAS Registry Number: 149-30-4
Synonyms: Captax, Sulfadene, Dermacid, Thiotax, Kaptax, Mertax, Rotax, Accelerator M, Mebetizole, Mebithizol, Kaptaks, Vulkacit M, Benzothiazolethiol, Rokon, Ekagom G, mebetizol, Accel M, 2-Benzothiazolethiol, Soxinol M, Vulkacit Mercapto

Molecular Formula:	C₇H₅NS₂	Molecular Weight:	167.251300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	0

InChIKey: YXIWHUQXZSMYRE-UHFFFAOYSA-N

• 3,4-Diaminobenzoic Acid

IUPAC Name: 3,4-diaminobenzoic acid | CAS Registry Number: 619-05-6
Synonyms: 3,4-Diaminobenzoic acid, Benzoic acid, 3,4-diamino-, Oprea1_646993, D12600_ALDRICH, EINECS 210-577-2, SBB000111, TL8003976, InChI=1/C7H8N2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H,10,11

Molecular Formula:	C₇H₈N₂O₂	Molecular Weight:	152.150620 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: HEMGYNNCNNODNX-UHFFFAOYSA-N

• 3,7-Dichloro-8-Quinolinecarboxylic Acid

IUPAC Name: 3,7-dichloroquinoline-8-carboxylic acid | CAS Registry Number: 84087-01-4
Synonyms: Quinclorac, Facet, Quinclorac tech, Quinchlorac, Quinclorac [ISO], 3,7-Dichloroquinoline-8-carboxylic acid, 36521_RIEDEL, BAS 514 00H, BAS 514 H, 3,7-Dichloro-8-quinolinecarboxylic acid, EPA Pesticide Chemical Code 128974, 8-Quinolinecarboxylic acid, 3,7-dichloro-, 3,7 dichloroquinoline-8-carboxylic acid, NCGC00163716-01, NCGC00163716-02, EE4027801, LS-141512, 3,7-Dichloorchinoline-8-carbonzuur [Dutch], 3,7-Dichlorchinolin-8-carbonsaure [Danish], 3,7-Dichlorquinolin-8-carboxylsyre [Danish]

Molecular Formula:	C₁₀H₅Cl₂NO₂	Molecular Weight:	242.058200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FFSSWMQPCJRCRV-UHFFFAOYSA-N

• 3-Amino Acetophenone

IUPAC Name: 1-(3-aminophenyl)ethanone | CAS Registry Number: 99-03-6
Synonyms: 3-Acetylaniline, m-Aminoacetophenone, m-Acetylaniline, m-Aminoacetylbenzene, 3'-Aminoacetophenone, Acetophenone, 3'-amino-, 1-(3-Aminophenyl)ethanone, beta-Aminoacetophenone, Acetophenone, m-amino-, Ethanone, 1-(3-aminophenyl)-, 3-AMINOACETOPHENONE, Ambap7453, 3-Aminoacetofenon [Czech], .beta.-Aminoacetophenone, WLN: ZR CV1, ACETOPHENONE,3-AMINO, 139351_ALDRICH, NSC 7637, 06629_FLUKA, 06630_FLUKA

Molecular Formula:	C₈H₉NO	Molecular Weight:	135.163160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CKQHAYFOPRIUOM-UHFFFAOYSA-N

• 3-Chloro-4-Fluoroaniline

IUPAC Name: 3-chloro-4-fluoroaniline | CAS Registry Number: 367-21-5
Synonyms: 3-CHLORO-4-FLUOROANILINE, Aniline, 3-chloro-4-fluoro-, Benzenamine, 3-chloro-4-fluoro-, 228583_ALDRICH, 45958_RIEDEL, CID9708, ZINC00157622, NSC10290, EINECS 206-682-8, NSC 10290, C104, TL806163, ST5213737, C-3925, InChI=1/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H

Molecular Formula:	C₆H₅ClFN	Molecular Weight:	145.562003 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YSEMCVGMNUUNRK-UHFFFAOYSA-N

• 4-Aminobenzonitrile

IUPAC Name: 4-aminobenzonitrile | CAS Registry Number: 873-74-5
Synonyms: 4-Cyanoaniline, p-Cyanoaniline, Benzonitrile, 4-amino-, Aniline, p-cyano-, Benzonitrile, p-amino-, P-AMINOBENZONITRILE, 1-Amino-4-cyanobenzene, para-aminobenzonitrile, WLN: ZR DCN, 147753_ALDRICH, C7H6N2, Benzonitrile, p-amino- (8CI), NSC 7625, 07010_FLUKA, EINECS 212-850-1, NSC7625, AIDS020236, AIDS-020236, BRN 0774507, BENZOIC ACID,4-AMINO,NITRILE

Molecular Formula:	C₇H₆N₂	Molecular Weight:	118.135940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YBAZINRZQSAIAY-UHFFFAOYSA-N

• 2-(2'-Hydroxy-5'-methylphenyl) benzotriazole (UV-P)

IUPAC Name: 2-(benzotriazol-2-yl)-4-methylphenol | CAS Registry Number: 2440-22-4
Synonyms: Drometrizole, Benazol P, Tinuvin P, UV Absorber-1, Porex P, Tin P, Drometrizole [USAN:INN], Drometrizolum [INN-Latin], 2-Benzotriazolyl-4-methylphenol, ChemDiv2_000180, Drometrizole (USAN/INN), NCIOpen2_005624, MLS000713327, 533203_ALDRICH, Drometrizol [INN-Spanish, French], Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-, EINECS 219-470-5, NSC 91885, p-Cresol, 2-(2H-benzotriazol-2-yl)-, 2-(2H-Benzotriazol-2-yl)-p-cresol

Molecular Formula:	C₁₃H₁₁N₃O	Molecular Weight:	225.245940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MCPKSFINULVDNX-UHFFFAOYSA-N

• 3-Nitrocinnamic Acid

IUPAC Name: (E)-3-(3-nitrophenyl)prop-2-enoic acid | CAS Registry Number: 1772-76-5
Synonyms: 3-Nitrocinnamic acid, m-Nitrocinnamic acid, Cinnamic acid, m-nitro, trans-3-Nitrocinnamic acid, 3-nitro-cinnamic acid, Cinnamic acid, m-nitro-, 3-Nitrobenzenepropenoic acid, CCRIS 1667, 130192_ALDRICH, ARONIS013881, NSC 5408, 74135_FLUKA, EINECS 209-104-2, AIDS019389, AIDS-019389, 2-Propenoic acid, 3-(3-nitrophenyl)-, CID687126, STK364573, trans-3-(3-Nitrophenyl)acrylic acid, AI3-08847

Molecular Formula:	C₉H₇NO₄	Molecular Weight:	193.156180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WWXMVRYHLZMQIG-SNAWJCMRSA-N

• 1,2,4-Trifluorobenzene

IUPAC Name: 1,2,4-trifluorobenzene | CAS Registry Number: 367-23-7
Synonyms: Ambap7190, Benzene, 1,2,4-trifluoro-, 1,3,4-Trifluorobenzene, 1,2,4- Trifluorobenzene, 196843_ALDRICH, NSC10263, 1,3,4-Trifluorobenzene, misnomer, CID67773, JRD-0617, EINECS 206-684-9, TL8002707

Molecular Formula:	C₆H₃F₃	Molecular Weight:	132.083230 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PEBWOGPSYUIOBP-UHFFFAOYSA-N

• 3'-Chloroacetophenone

IUPAC Name: 1-(3-chlorophenyl)ethanone | CAS Registry Number: 1341-24-8
Synonyms: omega-Chloroacetophenone, CHLOROACETOPHENONE, Acetophenone, 3'-chloro-, Ethanone, 1-(3-chlorophenyl)-, 1-(3-Chlorophenyl)ethanone, CCRIS 638, 288799_ALDRICH, 22845_FLUKA, MolPort-001-759-990, CID14933, EINECS 202-721-8, c0096, ZINC02039606, BBR-007238, Ethanone, 1-phenyl-, monochloro deriv, Ethanone, 1-phenyl-, monochloro deriv., LS-67567, I01-1629, InChI=1/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H, 99-02-5

Molecular Formula:	C₈H₇ClO	Molecular Weight:	154.593580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: UUWJBXKHMMQDED-UHFFFAOYSA-N

• 2,2-Dimethoxy Propane

IUPAC Name: 2,2-dimethoxypropane | CAS Registry Number: 77-76-9
Synonyms: Acetone dimethyl acetal, Propane, 2,2-dimethoxy-, Acetone dimethyl ketal, Acetone, dimethyl acetal, 2,2-DIMETHOXYPROPANE, Acetone-dimethyl acetal, 33053_SUPELCO, 73137_FLUKA, Acetone, dimethyl acetal (8CI), EINECS 201-056-0, D136808_SIAL, NSC 62085, NSC62085, ZINC00402867, AI3-26275, LS-170583, InChI=1/C5H12O2/c1-5(2,6-3)7-4/h1-4H, DMP

Molecular Formula:	C₅H₁₂O₂	Molecular Weight:	104.147580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HEWZVZIVELJPQZ-UHFFFAOYSA-N