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Zirconium Phosphate (Zr(Hpo4)2)
CAS: 13772-29-7 | H3O4PZr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13772-29-7
Molecular Formula:
H3O4PZr
Molecular Mass:
189.22 g/mol
Names and Synonyms:
Zirconium Phosphate (Zr(Hpo4)2)
Phosphoric acid, zirconium(4+) salt (2:1)
Zirconium phosphate
Zirconium hydrogen phosphate (Zr(HPO4)2)
Zirconium bis(monohydrogen phosphate)
Phosphoric acid zirconium salt (2:1)
Zirconium monohydrogen phosphate (Zr(HPO4)2)
Zirconium bis(monohydrogen orthophosphate)
γ-Zirconium phosphate
Zirconium hydrogen orthophosphate
α-Zirconium phosphate
Zirconium phosphate (Zr(HPO4)2)
Zirconium bis(hydrogen phosphate)
ZP 101
NS 10TZ
TZP 65
Identifiers:
SMILES:
O=P(O)(O)O.[Zr]
InChI:
InChI=1S/H3O4P.Zr/c1-5(2,3)4;/h(H3,1,2,3,4);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.22 g/mol | CAS Common Chemistry |
| 189.218 g/mol | RDKit | |
| 187.881599606 g/mol | RDKit | |
| Canonical SMILES | [Zr].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H3O4P.Zr/c1-5(2,3)4;/h(H3,1,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=SDKTUKJXHDZWMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zirconium phosphate (Zr(HPO4)2) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -0.9311 | RDKit |
| Molar Refractivity | 14.262899999999998 | RDKit |
