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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 43.37
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 7.0

Cross References

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