Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C7WB5C8JTR
EPA CompTox DTXSID20224781

Structure

InChI Key OGMSGZZPTQNTIK-UHFFFAOYSA-N
Smiles CC(=C)c1ccccc1C
InChI
InChI=1S/C10H12/c1-8(2)10-7-5-4-6-9(10)3/h4-7H,1H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12
Molecular Weight 132.09
AlogP 3.03
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 7399-49-7
NORMAN SUSDAT
FDA SRS C7WB5C8JTR
PubChem 81886
ChemSpider 73894.0