Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UH5G8E8NAN
EPA CompTox DTXSID60186399

Structure

InChI Key MYLBIQHZWFWSMH-UHFFFAOYSA-N
Smiles COc1ccc(C=O)cc1C
InChI
InChI=1S/C9H10O2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O2
Molecular Weight 150.07
AlogP 1.82
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 32723-67-4
NORMAN SUSDAT
FDA SRS UH5G8E8NAN
PubChem 122936
ChemSpider 109581.0