3-Cyanobenzoic acid

CAS Registry Number®

1877-72-1

CAS Name

3-Cyanobenzoic acid

Molecular Formula

C8H5NO2

Molecular Mass

147.13

Cite this Page

3-Cyanobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1877-72-1 (retrieved 2024-12-19) (CAS RN: 1877-72-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    219 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)

InChIKey

InChIKey=GYLKKXHEIIFTJH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-cyano-
  • Benzoic acid, m-cyano-
  • 3-Cyanobenzoic acid
  • m-Cyanobenzoic acid
  • m-Carboxybenzonitrile

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