Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EHP8W0L01A
EPA CompTox DTXSID9025588

Structure

InChI Key FXFYOPQLGGEACP-UHFFFAOYSA-N
Smiles Cc1ccc2oc(=O)ccc2c1
InChI
InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8O2
Molecular Weight 160.05
AlogP 2.1
Hydrogen Bond Acceptor 2.0
Polar Surface Area 30.21
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 92-48-8
NORMAN SUSDAT
FDA SRS EHP8W0L01A
PubChem 7092
ChemSpider 6825.0