oxepin

Also known as oxepine, oxacycloheptatriene

Oxepine is an oxygen-containing heterocycle consisting of a seven-membered ring with three double bonds. The parent C6H6O exists as an equilibrium mixture with benzene oxide. center|200px

Chemical data

Formula: C6H6O
Molecular weight: 94.11 g/mol
IUPAC name: oxepine
SMILES: C1=CC=COC=C1
InChIKey: ATYBXHSAIOKLMG-UHFFFAOYSA-N
XLogP: 1.7
Polar surface area: 9.2 Å²
H-bond donors: 0
H-bond acceptors: 1
Formal charge: 0

via PubChem

Wikidata facts

Mass: 94.041865

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chemical formula: C₆H₆O
canonical SMILES: C1=CC=COC=C1
Commons category: Oxepin

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Oxepine is an oxygen-containing heterocycle consisting of a seven-membered ring with three double bonds. The parent C6H6O exists as an equilibrium mixture with benzene oxide. center|200px

The oxepin–benzene oxide equilibrium is affected by the ring substituents. A related dimethyl derivative exists mainly as the oxepine isomer, an orange liquid.