Cyanoacetophenone

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Properties Simple | Detailed

Formula C9H7NO
IUPAC Name 3-oxo-3-phenyl-propanenitrile
Molecular Mass 145.158 g·mol−1
Heat of Formation 71.7 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 181.0 Å 3
Surface Area 183.32 Å 2
HOMO Energy -10.44 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry Cs
Synonyms
  • .alpha.-cyanoacetophenone
  • .omega.-cyanoacetophenone
  • 2-cyanoacetophenone
  • 2-cyanoacetyl phenone
  • 3-keto-3-phenyl-propionitrile
  • 3-oxo-3-phenylpropanenitrile
  • 3-phenyl-3-ketopropionitrile
  • ac-907/25014239
  • acetonitrile, benzoyl-
  • acetonitrile, benzoyl- (8ci)
  • acetophenone, 2-cyano-
  • benzenepropanenitrile, .beta.-oxo-
  • benzenepropanenitrile, beta-oxo-
  • benzoylacetonitrile
  • beta-oxohydrocinnamonitrile
  • cyanomethyl phenyl ketone
  • enamine_005459
  • hydrocinnamonitrile, .beta.-oxo-
  • hydrocinnamonitrile, beta-oxo-
  • phenacyl cyanide
  • tos-bb-1131
CAS Number(s)
  • 151887-87-5
  • 614-16-4
InChIKey ZJRCIQAMTAINCB-UHFFFAOYSA-N
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