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Zirconium(Iv) Hydroxide
CAS: 14475-63-9 | H4O4Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14475-63-9
Molecular Formula:
H4O4Zr
Molecular Mass:
159.25 g/mol
Names and Synonyms:
Zirconium(Iv) Hydroxide
Zirconium hydroxide (Zr(OH)4), (T-4)-
Zirconium hydroxide (Zr(OH)4)
Zirconic acid
Zirconium hydroxide
Zirconium tetrahydroxide
Zirconium(IV) hydroxide
Zirconium(4+) hydroxide
XZO 880/01
XZO 706/03
XZO 632/03
XZO 681/01
R Zirconium Hydroxide
XZO 1247/01
XZO 1501/09
MELcat XZO 1903
MELcat XZO 1662
Identifiers:
SMILES:
[OH-].[OH-].[OH-].[OH-].[Zr+4]
InChI:
InChI=1S/4H2O.Zr/h4*1H2;/q;;;;+4/p-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 | 159.25 g/mol | CAS Common Chemistry |
| 159.252 g/mol | RDKit | |
| 157.915663008 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zirconium(IV)_hydroxide | CAS Common Chemistry |
| Canonical SMILES | O[Zr](O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/4H2O.Zr/h4*1H2;/q;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=HAIMOVORXAUUQK-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Zirconium tetrahydroxide | CAS Common Chemistry |
| Zirconium(IV) hydroxide | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 120.0 Ų | RDKit |
| LogP | -0.7096999999999998 | RDKit |
| Molar Refractivity | 7.7432 | RDKit |
