Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LX9U4V2RJW
EPA CompTox DTXSID60168155

Structure

InChI Key GUGXBRGATQTAFP-UHFFFAOYSA-N
Smiles C(C1CC1)c1ccccc1
InChI
InChI=1S/C10H12/c1-2-4-9(5-3-1)8-10-6-7-10/h1-5,10H,6-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12
Molecular Weight 132.09
AlogP 2.64
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1667-00-1
NORMAN SUSDAT
FDA SRS LX9U4V2RJW
PubChem 74274
ChemSpider 66880.0