Cyanophenylacetylene

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Properties Simple | Detailed

Formula C9H5N
IUPAC Name 3-phenylprop-2-ynenitrile
Molecular Mass 127.143 g·mol−1
Heat of Formation 464.7 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 164.93 Å 3
Surface Area 175.03 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C2v
Synonyms
  • 2-propynenitrile, 3-phenyl-
  • 3-phenylpropiolonitrile
  • phenylpropiolonitrile
  • phenylpropynenitrile
  • propiolonitrile, phenyl-
CAS Number(s)
  • 935-02-4
InChIKey IYXVSRXFGYDNEV-UHFFFAOYSA-N
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Elements H C N