Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HK9E3K25SA
EPA CompTox DTXSID7075266

Structure

InChI Key XHUZSRRCICJJCN-UHFFFAOYSA-N
Smiles CCc1cc(C=C)ccc1
InChI
InChI=1S/C10H12/c1-3-9-6-5-7-10(4-2)8-9/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 7525-62-4
NORMAN SUSDAT
FDA SRS HK9E3K25SA
PubChem 24143
ChemSpider 22567.0