Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 81PXA87XVC

Structure

InChI Key XDWXRAYGALQIFG-UHFFFAOYSA-L
Smiles [Zn+2].CCC(=O)[O-].CCC(=O)[O-]
InChI
InChI=1/2C3H6O2.Zn/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O2.1/2Zn
Molecular Weight 209.99
AlogP -1.71
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 80.26
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 557-28-8
NORMAN SUSDAT
FDA SRS 81PXA87XVC