871239-18-8

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871239-18-8 Structure

Identification	Back 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 Properties	Back 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 Detail	Back Directory
[Spectrum Detail] 2-AMino-5-cyano-3-Methylbenzoic acid(871239-18-8)¹HNMR

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