871239-18-8

Name 2-AMino-5-cyano-3-Methylbenzoic acid
CAS 871239-18-8
EINECS(EC#) 937-434-3
Molecular Formula C9H8N2O2
Molecular Weight 176.17
MOL File 871239-18-8.mol
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Chemical Properties

Boiling point  397.5±42.0 °C(Predicted)
density  1.35±0.1 g/cm3(Predicted)
storage temp.  2-8°C, protect from light
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

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