Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6V7RSW7273
EPA CompTox DTXSID1062629

Structure

InChI Key CHCCBPDEADMNCI-UHFFFAOYSA-N
Smiles CC1=CC(=O)CC1
InChI
InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O1
Molecular Weight 96.06
AlogP 1.3
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2758-18-1
NORMAN SUSDAT
FDA SRS 6V7RSW7273
PubChem 17691
ChemSpider 16723.0