Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A4JUE6B29X
EPA CompTox DTXSID1052614

Structure

InChI Key KFKXSMSQHIOMSO-UHFFFAOYSA-N
Smiles COC(=O)C=O
InChI
InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4O3
Molecular Weight 88.02
AlogP -0.64
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 43.37
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 922-68-9
NORMAN SUSDAT
FDA SRS A4JUE6B29X
PubChem 70205
ChemSpider 63391.0