Cyclohexadienone

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Properties Simple | Detailed

Formula C6H6O
IUPAC Name cyclohexa-2,4-dien-1-one
Molecular Mass 94.111 g·mol−1
Heat of Formation -47.2 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 119.82 Å 3
Surface Area 129.75 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-cyclohexa-2,4-dienone
  • 2,4-cyclohexadienone
CAS Number(s)
  • 24599-57-3
InChIKey WQPDQJCBHQPNCZ-UHFFFAOYSA-N
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Elements H C O