ε-Oxobenzenehexanenitrile

CAS Registry Number®

28353-03-9
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CAS Name

ε-Oxobenzenehexanenitrile

Molecular Formula

C12H13NO

Molecular Mass

187.24

Cite this Page

ε-Oxobenzenehexanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28353-03-9 (retrieved 2024-08-12) (CAS RN: 28353-03-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    65.9-66 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13NO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9H2

InChIKey

InChIKey=PKUPJRIDMQLMOC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCCCCC(=O)C=1C=CC=CC1

Other Names for this Substance

  • Benzenehexanenitrile, ε-oxo-
  • Valeronitrile, 5-benzoyl-
  • ε-Oxobenzenehexanenitrile