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871239-18-8

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871239-18-8 Structure

871239-18-8 Structure
IdentificationBack Directory
[Name]

2-AMino-5-cyano-3-Methylbenzoic acid
[CAS]

871239-18-8
[Synonyms]

2-AMino-5-cyano-3-Methylbenzoic acid
Benzoic acid, 2-amino-5-cyano-3-methyl-
[EINECS(EC#)]

937-434-3
[Molecular Formula]

C9H8N2O2
[MOL File]

871239-18-8.mol
[Molecular Weight]

176.17
Chemical PropertiesBack Directory
[Boiling point ]

397.5±42.0 °C(Predicted)
[density ]

1.35±0.1 g/cm3(Predicted)
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.45±0.10(Predicted)
[color ]

Pale Brown to Brown
[InChI]

InChI=1S/C9H8N2O2/c1-5-2-6(4-10)3-7(8(5)11)9(12)13/h2-3H,11H2,1H3,(H,12,13)
[InChIKey]

FYPIIMYXBCWBPQ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(C#N)=CC(C)=C1N
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMino-5-cyano-3-Methylbenzoic acid(871239-18-8)1HNMR
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