3-Cyano-β-oxobenzenepropanenitrile

CAS Registry Number®

21667-63-0
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CAS Name

3-Cyano-β-oxobenzenepropanenitrile

Molecular Formula

C10H6N2O

Molecular Mass

170.17

Cite this Page

3-Cyano-β-oxobenzenepropanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21667-63-0 (retrieved 2024-07-08) (CAS RN: 21667-63-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    189-190 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H6N2O/c11-5-4-10(13)9-3-1-2-8(6-9)7-12/h1-3,6H,4H2

InChIKey

InChIKey=CWULKMSXLFIFKW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanenitrile, 3-cyano-β-oxo-
  • Benzonitrile, m-(cyanoacetyl)-
  • 3-Cyano-β-oxobenzenepropanenitrile
  • 3-(2-Cyanoacetyl)benzonitrile