Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZKX7MV36HU
EPA CompTox DTXSID70188081

Structure

InChI Key WHFHDVDXYKOSKI-UHFFFAOYSA-N
Smiles C=CC1=CC=C(C=C1)CC
InChI
InChI=1/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12
Molecular Weight 132.09
AlogP 2.89
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3454-07-7
NORMAN SUSDAT
FDA SRS ZKX7MV36HU
PubChem 18940