Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3EY8GVM0DX
EPA CompTox DTXSID30150027

Structure

InChI Key XXTQHVKTTBLFRI-UHFFFAOYSA-N
Smiles CC(=C)c1cc(C)ccc1
InChI
InChI=1S/C10H12/c1-8(2)10-6-4-5-9(3)7-10/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 1124-20-5
NORMAN SUSDAT
FDA SRS 3EY8GVM0DX
PubChem 70759
ChemSpider 63924.0