Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FK3M8O9X4U
EPA CompTox DTXSID90210479

Structure

InChI Key GPASWZHHWPVSRG-UHFFFAOYSA-N
Smiles Cc1cc(O)c(C)cc1O
InChI
InChI=1S/C8H10O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4,9-10H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O2
Molecular Weight 138.07
AlogP 1.71
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 615-90-7
NORMAN SUSDAT
FDA SRS FK3M8O9X4U
PubChem 69211
ChemSpider 62424.0