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

Structure

InChI Key JCGNDDUYTRNOFT-UHFFFAOYSA-N
Smiles O=C1OCC(=O)C1
InChI
InChI=1/C4H4O3/c5-3-1-4(6)7-2-3/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4O3
Molecular Weight 100.02
AlogP -0.5
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 4971-56-6
NORMAN SUSDAT
PubChem 521261