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Substance Name: 3-(Cyanomethyl)benzoic acid
RN: 5689-33-8
UNII: J7V17Q435V
InChIKey: DATIHVJZEPOWPT-UHFFFAOYSA-N

Molecular Formula

  • C9-H7-N-O2

Molecular Weight

  • 161.1593
 
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Names and Synonyms

Name of Substance

  • 3-(Cyanomethyl)benzoic acid

Synonyms

  • 3-(Cyanomethyl)benzoic acid
  • 3-Carboxyphenylacetonitrile
  • Benzoic acid, 3-(cyanomethyl)-
  • Ketoprofen impurity H [EP]
  • m-(Cyanomethyl)benzoic acid
  • m-Toluic acid, alpha-cyano-
  • UNII-J7V17Q435V

Registry Numbers

CAS Registry Number

  • 5689-33-8

FDA UNII

  • J7V17Q435V

System Generated Number

  • 0005689338

Structure Descriptors

InChI

1S/C9H7NO2/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6H,4H2,(H,11,12)

InChIKey

DATIHVJZEPOWPT-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)C(=O)O)CC#N