α-Cyanobenzeneacetic acid

CAS Registry Number®

14025-79-7
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CAS Name

α-Cyanobenzeneacetic acid

Molecular Formula

C9H7NO2

Molecular Mass

161.16

Cite this Page

α-Cyanobenzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14025-79-7 (retrieved 2024-08-04) (CAS RN: 14025-79-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    74 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=DKFPBXQCCCIWLC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC(C(=O)O)C=1C=CC=CC1

Other Names for this Substance

  • Benzeneacetic acid, α-cyano-
  • Acetic acid, cyanophenyl-
  • α-Cyanobenzeneacetic acid
  • α-Phenylcyanoacetic acid
  • Phenylcyanoacetic acid

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Deleted or Replaced CAS Registry Numbers

157521-05-6