Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1K3UR56Z4N
EPA CompTox DTXSID10207321

Structure

InChI Key BAYUSCHCCGXLAY-UHFFFAOYSA-N
Smiles COc1cccc(c1)C(=O)C
InChI
InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O2
Molecular Weight 150.07
AlogP 1.9
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 586-37-8
NORMAN SUSDAT
FDA SRS 1K3UR56Z4N
PubChem 11460
ChemSpider 10975.0