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Substance Name: 3-(1-Cyanoethyl)benzoic acid
RN: 5537-71-3
UNII: 3PN2M0G40N
InChIKey: IRYIYPWRXROPSX-UHFFFAOYSA-N

Molecular Formula

  • C10-H9-N-O2

Molecular Weight

  • 175.186
 
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Names and Synonyms

Name of Substance

  • 3-(1-Cyanoethyl)benzoic acid

Synonyms

  • EC 226-897-0
  • EINECS 226-897-0
  • UNII-3PN2M0G40N

Systematic Names

  • Benzoic acid, 3-(1-cyanoethyl)-
  • m-(1-Cyanoethyl)benzoic acid

Registry Numbers

CAS Registry Number

  • 5537-71-3

FDA UNII

  • 3PN2M0G40N

System Generated Number

  • 0005537713

Structure Descriptors

InChI

1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)

InChIKey

IRYIYPWRXROPSX-UHFFFAOYSA-N

Smiles

C(c1cc([C@@H](C#N)C)ccc1)(=O)O