Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RTM6P5K8CA
EPA CompTox DTXSID6074702

Structure

InChI Key DBWWINQJTZYDFK-UHFFFAOYSA-N
Smiles Cc1cc(C=C)c(C)cc1
InChI
InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12
Molecular Weight 132.09
AlogP 2.95
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2039-89-6
NORMAN SUSDAT
FDA SRS RTM6P5K8CA
PubChem 16265
ChemSpider 15433.0