Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GLM9ZJ1WW7
EPA CompTox DTXSID90171571

Structure

InChI Key KCZQNAOFWQGLCN-UHFFFAOYSA-N
Smiles Cc1cc2c(occ2)cc1
InChI
InChI=1S/C9H8O/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8O1
Molecular Weight 132.06
AlogP 2.74
Hydrogen Bond Acceptor 1.0
Polar Surface Area 13.14
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 18441-43-5
NORMAN SUSDAT
FDA SRS GLM9ZJ1WW7
PubChem 33103
ChemSpider 30601.0