Oxepin

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Properties Simple | Detailed

Formula C6H6O
IUPAC Name oxepine
Molecular Mass 94.111 g·mol−1
Heat of Formation 52.1 ± 16.7 kJ·mol−1
Dipole Moment 1.00 ± 1.08 D
Volume 119.65 Å 3
Surface Area 128.81 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry Cs
Synonyms
  • oxacycloheptatriene
CAS Number(s)
  • 291-70-3
InChIKey ATYBXHSAIOKLMG-UHFFFAOYSA-N
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Elements H C O