Capillin

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Properties Simple | Detailed

Formula C12H8O
IUPAC Name 1-phenylhexa-2,4-diyn-1-one
Molecular Mass 168.191 g·mol−1
Heat of Formation 397.7 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 214.32 Å 3
Surface Area 221.73 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-phenyl-2,4-hexadiyn-1-one
  • 2,4-hexadiyn-1-one, 1-phenyl-
  • 2,4-hexadiyn-1-one, 1-phenyl- (9ci)
  • 2,4-hexadiynophenone
CAS Number(s)
  • 495-74-9
InChIKey RAZOKRUZEQERLH-UHFFFAOYSA-N
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