Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 798V2T7ZBV
EPA CompTox DTXSID1030317

Structure

InChI Key KBSVBCHYXYXDAG-UHFFFAOYSA-N
Smiles CC(=O)c1cc(C)oc1C
InChI
InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O2
Molecular Weight 138.07
AlogP 2.1
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 30.21
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 10599-70-9
NORMAN SUSDAT
FDA SRS 798V2T7ZBV
PubChem 61527
ChemSpider 55447.0