3-[3-(2,3-Dimethylphenyl)-1-oxopropyl]benzonitrile

CAS Registry Number®

898769-14-7
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CAS Name

3-[3-(2,3-Dimethylphenyl)-1-oxopropyl]benzonitrile

Molecular Formula

C18H17NO

Molecular Mass

263.33

Cite this Page

3-[3-(2,3-Dimethylphenyl)-1-oxopropyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898769-14-7 (retrieved 2024-09-07) (CAS RN: 898769-14-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H17NO/c1-13-5-3-7-16(14(13)2)9-10-18(20)17-8-4-6-15(11-17)12-19/h3-8,11H,9-10H2,1-2H3

InChIKey

InChIKey=KGHJQVWKEMDCIP-UHFFFAOYSA-N

SMILES

C(CCC1=C(C)C(C)=CC=C1)(=O)C2=CC(C#N)=CC=C2

Canonical SMILES

N#CC1=CC=CC(=C1)C(=O)CCC=2C=CC=C(C2C)C

Other Names for this Substance

  • Benzonitrile, 3-[3-(2,3-dimethylphenyl)-1-oxopropyl]-
  • 3-[3-(2,3-Dimethylphenyl)-1-oxopropyl]benzonitrile