Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GZ7272436A
EPA CompTox DTXSID60168892

Structure

InChI Key PHQXPPBIJBCIMI-UHFFFAOYSA-N
Smiles Cc1cccc2c1occ2
InChI
InChI=1S/C9H8O/c1-7-3-2-4-8-5-6-10-9(7)8/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 17059-52-8
NORMAN SUSDAT
FDA SRS GZ7272436A
PubChem 33105
ChemSpider 30603.0