Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key CXOZQHPXKPDQGT-UHFFFAOYSA-N
Smiles C1=CC(C)CC1
InChI
InChI=1/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10
Molecular Weight 82.08
AlogP 1.97
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1120-62-3
NORMAN SUSDAT
PubChem 14263