Phenylpropynal

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Properties Simple | Detailed

Formula C9H6O
IUPAC Name 3-phenylprop-2-ynal
Molecular Mass 130.143 g·mol−1
Heat of Formation 217.0 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 164.12 Å 3
Surface Area 174.86 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-propynal, 3-phenyl-
  • 3-phenyl-2-propynal
  • 3-phenylpropiolaldehyde
  • 3-phenylpropynal
  • benzenepropiolaldehyde
  • phenylacetylenecarboxaldehyde
  • phenylpropargyl aldehyde
  • phenylpropargylaldehyde
  • phenylpropiolaldehyde
  • propiolaldehyde, phenyl-
  • propiolaldehyde, phenyl- (8ci)
CAS Number(s)
  • 2579-22-8
InChIKey IDASOVSVRKONFS-UHFFFAOYSA-N
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