Benzoic acid, 3-cyano-, methyl ester

CAS Registry Number®

13531-48-1

CAS Name

Benzoic acid, 3-cyano-, methyl ester

Molecular Formula

C9H7NO2

Molecular Mass

161.16

Cite this Page

Benzoic acid, 3-cyano-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13531-48-1 (retrieved 2024-11-21) (CAS RN: 13531-48-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    38-40 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=XPBHWSMZTSSEJE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=CC(=C1)C(=O)OC

Other Names for this Substance

  • Benzoic acid, 3-cyano-, methyl ester
  • Benzoic acid, m-cyano-, methyl ester
  • Methyl m-cyanobenzoate
  • Methyl 3-cyanobenzoate
  • 3-Cyanobenzoic acid methyl ester

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration