Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G0I9DYE185
EPA CompTox DTXSID9060605

Structure

InChI Key SFBTTWXNCQVIEC-UHFFFAOYSA-N
Smiles COc1ccccc1C=C
InChI
InChI=1S/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O1
Molecular Weight 134.07
AlogP 2.34
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 612-15-7
NORMAN SUSDAT
FDA SRS G0I9DYE185
PubChem 61153
ChemSpider 55099.0