1-BENZOXEPIN-3,5(2H,4H)-DIONE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80211596

Structure

InChI Key VXHBBPNYWKGNHL-UHFFFAOYSA-N
Smiles O=C1COc2ccccc2C(=O)C1
InChI
InChI=1S/C10H8O3/c11-7-5-9(12)8-3-1-2-4-10(8)13-6-7/h1-4H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8O3
Molecular Weight 176.05
AlogP 1.22
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 62557-53-3
NORMAN SUSDAT
PubChem 319677
ChemSpider 282998.0
CONTENTS