3-Amino-5-cyanobenzoic acid

CAS Registry Number®

1000341-18-3
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CAS Name

3-Amino-5-cyanobenzoic acid

Molecular Formula

C8H6N2O2

Molecular Mass

162.15

Cite this Page

3-Amino-5-cyanobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1000341-18-3 (retrieved 2024-09-06) (CAS RN: 1000341-18-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    265-267 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O2/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3H,10H2,(H,11,12)

InChIKey

InChIKey=CCWVOHSNQZFXQU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C=C(N)C=C(C1)C(=O)O

Other Names for this Substance

  • Benzoic acid, 3-amino-5-cyano-
  • 3-Amino-5-cyanobenzoic acid