Keyword(s): Human Metabolites
Molecule Category Free-form
UNII IXX9MQ1J1I
EPA CompTox DTXSID6061282

Structure

InChI Key DBPFRRFGLYGEJI-UHFFFAOYSA-N
Smiles CCOC(=O)C=O
InChI
InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O3
Molecular Weight 102.03
AlogP -0.25
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 43.37
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 924-44-7
NORMAN SUSDAT
FDA SRS IXX9MQ1J1I
PubChem 70211
ChemSpider 63397.0