3-(1-Cyanoethyl)benzoic acid

CAS Registry Number®

5537-71-3
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CAS Name

3-(1-Cyanoethyl)benzoic acid

Molecular Formula

C10H9NO2

Molecular Mass

175.18

Cite this Page

3-(1-Cyanoethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5537-71-3 (retrieved 2024-04-29) (CAS RN: 5537-71-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140-141 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=IRYIYPWRXROPSX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-(1-cyanoethyl)-
  • Benzoic acid, m-(1-cyanoethyl)-
  • 3-(1-Cyanoethyl)benzoic acid
  • 2-(3-Carboxyphenyl)propionitrile
  • m-(1-Cyanoethyl)benzoic acid

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