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Molecule
Zirconium(Iv) Hydroxide
CAS: 14475-63-9 · H4O4Zr
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14475-63-9
- Molecular Formula
- H4O4Zr
- Molecular Mass
- 159.25 g/mol
Identifiers
CAS Registry Number
14475-63-9
SMILES
[OH-].[OH-].[OH-].[OH-].[Zr+4]
InChI Key
HAIMOVORXAUUQK-UHFFFAOYSA-J
InChI
InChI=1S/4H2O.Zr/h4*1H2;/q;;;;+4/p-4
Names and Synonyms
- Zirconium(Iv) Hydroxide Synonym
- Zirconium hydroxide (Zr(OH)4), (T-4)- Synonym
- Zirconium hydroxide (Zr(OH)4) Synonym
- Zirconic acid Synonym
- Zirconium hydroxide Synonym
- Zirconium tetrahydroxide Synonym
- Zirconium(IV) hydroxide Synonym
- Zirconium(4+) hydroxide Synonym
- XZO 880/01 Synonym
- XZO 706/03 Synonym
- XZO 632/03 Synonym
- XZO 681/01 Synonym
- R Zirconium Hydroxide Synonym
- XZO 1247/01 Synonym
- XZO 1501/09 Synonym
- MELcat XZO 1903 Synonym
- MELcat XZO 1662 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.25 g/mol | CAS Common Chemistry |
| 159.252 g/mol | RDKit | |
| 167.316 g/mol | chempirical lib | |
| 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 |
| -0.7097 | RDKit | |
| Molar Refractivity | 7.7432 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 157.915663008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 159.25 g/mol. Edit any field — others recompute live.
