4,5-Dihydrooxepin-3(2h)-one

HCID 58415914
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Basic information

Standard SMILES
O=C1CCC=COC1
InChIKey
KEUHCTAASLJXAO-UHFFFAOYSA-N
Molecular formula
C6H8O2
Average molar mass
112.13 g/mol

Names & identifiers

Preferred name
4,5-Dihydrooxepin-3(2h)-one
IUPAC
4,5-dihydrooxepin-3-one

Names & synonyms

SCHEMBL24061094,5-dihydrooxepin-3(2h)-oneKEUHCTAASLJXAO-UHFFFAOYSA-N

Database identifiers

PubChem CID
58415914

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Related reactions

1 records
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Compound notes

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