Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID30895143

Structure

InChI Key KAHROJAJXYSFOD-UHFFFAOYSA-J
Smiles [NH4+].[NH4+].[NH4+].[OH-].[Zr+4].[O-]C([O-])=O.[O-]C([O-])=O.[O-]C([O-])=O
InChI
InChI=1S/3CH2O3.3H3N.H2O.Zr/c3*2-1(3)4;;;;;/h3*(H2,2,3,4);3*1H3;1H2;/q;;;;;;;+4/p-4

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H13N3O10Zr
Molecular Weight 340.96
AlogP -5.01
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 0.0
Polar Surface Area 320.41
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 32535-84-5
NORMAN SUSDAT
PubChem 169443