Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZHQ6G2H7L3
EPA CompTox DTXSID0064048

Structure

InChI Key CUZLJOLBIRPEFB-UHFFFAOYSA-N
Smiles COCC(=O)C
InChI
InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O2
Molecular Weight 88.05
AlogP 0.22
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 5878-19-3
NORMAN SUSDAT
FDA SRS ZHQ6G2H7L3
PubChem 22172
ChemSpider 21169896.0