Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XR7OYT372M
EPA CompTox DTXSID0061111

Structure

InChI Key BTOVVHWKPVSLBI-UHFFFAOYSA-N
Smiles CC(=Cc1ccccc1)C
InChI
InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12
Molecular Weight 132.09
AlogP 3.11
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 768-49-0
NORMAN SUSDAT
FDA SRS XR7OYT372M
PubChem 13030
ChemSpider 12488.0