4-[(1E)-3-Oxo-1-buten-1-yl]benzonitrile

CAS Registry Number®

30626-00-7

CAS Name

4-[(1E)-3-Oxo-1-buten-1-yl]benzonitrile

Molecular Formula

C11H9NO

Molecular Mass

171.20

Cite this Page

4-[(1E)-3-Oxo-1-buten-1-yl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30626-00-7 (retrieved 2024-12-04) (CAS RN: 30626-00-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    102-103 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H9NO/c1-9(13)2-3-10-4-6-11(8-12)7-5-10/h2-7H,1H3/b3-2+

InChIKey

InChIKey=HQBRLWSRWSICCF-NSCUHMNNSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(C=C1)C=CC(=O)C

Other Names for this Substance

  • Benzonitrile, 4-[(1E)-3-oxo-1-buten-1-yl]-
  • Benzonitrile, 4-(3-oxo-1-butenyl)-, (E)-
  • Benzonitrile, 4-[(1E)-3-oxo-1-butenyl]-
  • 4-[(1E)-3-Oxo-1-buten-1-yl]benzonitrile
  • trans-4-(4-Cyanophenyl)-3-buten-2-one

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