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

Structure

InChI Key OMQBDYKABRALTC-UHFFFAOYSA-J
Smiles O=[U]=O.CC(=O)O[Zn](OC(C)=O)(OC(C)=O)OC(C)=O
InChI
InChI=1S/4C2H4O2.Zn/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12O8Zn1
Molecular Weight 299.98
AlogP -4.98
Hydrogen Bond Acceptor 8.0
Polar Surface Area 160.52
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 10138-94-0
NORMAN SUSDAT