4-Amino-5-cyano-2-hydroxy-3-methylbenzoic acid

CAS Registry Number®

72817-94-8

CAS Name

4-Amino-5-cyano-2-hydroxy-3-methylbenzoic acid

Molecular Formula

C9H8N2O3

Molecular Mass

192.17

Cite this Page

4-Amino-5-cyano-2-hydroxy-3-methylbenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72817-94-8 (retrieved 2024-10-05) (CAS RN: 72817-94-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    245 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H8N2O3/c1-4-7(11)5(3-10)2-6(8(4)12)9(13)14/h2,12H,11H2,1H3,(H,13,14)

InChIKey

InChIKey=PMIRQABZZUUPJI-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC(C#N)=C(N)C(C)=C1O

Canonical SMILES

N#CC=1C=C(C(=O)O)C(O)=C(C1N)C

Other Names for this Substance

  • Benzoic acid, 4-amino-5-cyano-2-hydroxy-3-methyl-
  • 4-Amino-5-cyano-2-hydroxy-3-methylbenzoic acid

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