4-(1-Methylethyl)-β-oxobenzenepropanenitrile

CAS Registry Number®

199102-70-0
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CAS Name

4-(1-Methylethyl)-β-oxobenzenepropanenitrile

Molecular Formula

C12H13NO

Molecular Mass

187.24

Cite this Page

4-(1-Methylethyl)-β-oxobenzenepropanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=199102-70-0 (retrieved 2024-05-19) (CAS RN: 199102-70-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    92-94 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=WHPGQMYJLCNLLE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanenitrile, 4-(1-methylethyl)-β-oxo-
  • 4-(1-Methylethyl)-β-oxobenzenepropanenitrile
  • 3-Oxo-3-[4-(propan-2-yl)phenyl]propanenitrile
  • 3-(4-Isopropylphenyl)-3-oxopropanenitrile

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