Benzoic acid, 2-cyano-, methyl ester

CAS Registry Number®

6587-24-2

CAS Name

Benzoic acid, 2-cyano-, methyl ester

Molecular Formula

C9H7NO2

Molecular Mass

161.16

Cite this Page

Benzoic acid, 2-cyano-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6587-24-2 (retrieved 2024-11-21) (CAS RN: 6587-24-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    147 °C @ Press: 11 Torr

  • Melting Point (1)

    50-51 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,1H3

InChIKey

InChIKey=RAMPDACRJWTXEV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 2-cyano-, methyl ester
  • Benzoic acid, o-cyano-, methyl ester
  • Methyl o-cyanobenzoate
  • Methyl 2-cyanobenzoate
  • 2-Cyanobenzoic acid methyl ester

CAS INSIGHTSTM
Targeted protein degrader structure, illustration