Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CM71768T6Q
EPA CompTox DTXSID3060459

Structure

InChI Key DBERHVIZRVGDFO-UHFFFAOYSA-N
Smiles CC(=O)COC(=O)C
InChI
InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O3
Molecular Weight 116.05
AlogP 0.14
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 43.37
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 592-20-1
NORMAN SUSDAT
FDA SRS CM71768T6Q
PubChem 11593
ChemSpider 11105.0