3-Methyl-β-oxobenzenepropanenitrile

CAS Registry Number®

53882-81-8

CAS Name

3-Methyl-β-oxobenzenepropanenitrile

Molecular Formula

C10H9NO

Molecular Mass

159.18

Cite this Page

3-Methyl-β-oxobenzenepropanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53882-81-8 (retrieved 2024-11-21) (CAS RN: 53882-81-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    74-75 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H9NO/c1-8-3-2-4-9(7-8)10(12)5-6-11/h2-4,7H,5H2,1H3

InChIKey

InChIKey=IVLKDYOTZMFMLO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanenitrile, 3-methyl-β-oxo-
  • 3-Methyl-β-oxobenzenepropanenitrile
  • m-Toluoylacetonitrile
  • (3-Methylbenzoyl)acetonitrile
  • 3-Oxo-3-m-tolylpropionitrile

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration