2-(Cyanomethyl)benzoic acid

CAS Registry Number®

6627-91-4
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CAS Name

2-(Cyanomethyl)benzoic acid

Molecular Formula

C9H7NO2

Molecular Mass

161.16

Cite this Page

2-(Cyanomethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6627-91-4 (retrieved 2024-04-25) (CAS RN: 6627-91-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    126 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=AGXBHBJDSLZGAP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCC=1C=CC=CC1C(=O)O

Other Names for this Substance

  • Benzoic acid, 2-(cyanomethyl)-
  • o-Toluic acid, α-cyano-
  • 2-(Cyanomethyl)benzoic acid
  • o-Carboxyphenylacetonitrile
  • NSC 60255

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