Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NF8ZG9V2JE
EPA CompTox DTXSID70231142

Structure

InChI Key GSOHKPVFCOWKPU-UHFFFAOYSA-N
Smiles CC(C(=O)C)C(=O)C
InChI
InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O2
Molecular Weight 114.07
AlogP 0.8
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 34.14
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 815-57-6
NORMAN SUSDAT
FDA SRS NF8ZG9V2JE
PubChem 69949
ChemSpider 63142.0