β-Oxo-α-propylbenzenepropanenitrile

CAS Registry Number®

1780-48-9
No image available.

CAS Name

β-Oxo-α-propylbenzenepropanenitrile

Molecular Formula

C12H13NO

Molecular Mass

187.24

Cite this Page

β-Oxo-α-propylbenzenepropanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1780-48-9 (retrieved 2024-09-07) (CAS RN: 1780-48-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    152 °C @ Press: 4.5 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13NO/c1-2-6-11(9-13)12(14)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6H2,1H3

InChIKey

InChIKey=CHOBBVMFOFGSBL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanenitrile, β-oxo-α-propyl-
  • Valeronitrile, 2-benzoyl-
  • β-Oxo-α-propylbenzenepropanenitrile
  • 2-Benzoylpentanenitrile