Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MC8KDB9FUW
EPA CompTox DTXSID6048208

Structure

InChI Key WVWZECQNFWFVFW-UHFFFAOYSA-N
Smiles COC(=O)c1c(C)cccc1
InChI
InChI=1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O2
Molecular Weight 150.07
AlogP 1.78
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 89-71-4
NORMAN SUSDAT
FDA SRS MC8KDB9FUW
PubChem 33094
ChemSpider 30595.0