Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40166639

Structure

InChI Key FJAKCEHATXBFJT-UHFFFAOYSA-N
Smiles CCOC(=O)C(=O)CC
InChI
InChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O3
Molecular Weight 130.06
AlogP 0.53
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 43.37
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 15933-07-0
NORMAN SUSDAT
PubChem 85195
ChemSpider 76830.0