Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2TM9PJ3QE5
EPA CompTox DTXSID10205261

Structure

InChI Key IOOGOHRKXRMUEQ-UHFFFAOYSA-N
Smiles Cc1cccc2c1cco2
InChI
InChI=1S/C9H8O/c1-7-3-2-4-9-8(7)5-6-10-9/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 5670-23-5
NORMAN SUSDAT
FDA SRS 2TM9PJ3QE5
PubChem 33104
ChemSpider 30603.0