2-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

CAS Registry Number®

898780-23-9
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CAS Name

2-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

Molecular Formula

C18H17NO

Molecular Mass

263.33

Cite this Page

2-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898780-23-9 (retrieved 2024-09-07) (CAS RN: 898780-23-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=SFIAPBVXEPAHKO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C=CC=CC1C(=O)CCC=2C=C(C=C(C2)C)C

Other Names for this Substance

  • Benzonitrile, 2-[3-(3,5-dimethylphenyl)-1-oxopropyl]-
  • 2-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile