Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 38B43WCU83
EPA CompTox DTXSID7062112

Structure

InChI Key SMFFZOQLHYIRDA-UHFFFAOYSA-N
Smiles COc1ccc(O)cc1OC
InChI
InChI=1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O3
Molecular Weight 154.06
AlogP 1.41
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 38.69
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2033-89-8
NORMAN SUSDAT
FDA SRS 38B43WCU83
PubChem 16251
ChemSpider 15420.0