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Molecule
Hafnium(Iv) Oxide
CAS: 12055-23-1 · HfO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12055-23-1
- Molecular Formula
- HfO2
- Molecular Mass
- 210.49 g/mol
Identifiers
CAS Registry Number
12055-23-1
SMILES
[Hf].[O].[O]
InChI Key
CJNBYAVZURUTKZ-UHFFFAOYSA-N
InChI
InChI=1S/Hf.2O
Names and Synonyms
- Hafnium(Iv) Oxide Synonym
- Hafnium oxide (HfO2) Synonym
- Hafnium dioxide Synonym
- Hafnium dioxide (HfO2) Synonym
- Hafnia Synonym
- Hafnotrast Synonym
- Hafnia (HfO2) Synonym
- Hafnium oxide Synonym
- NSC 158931 Synonym
- Hf 05 (oxide) Synonym
- Hf 05 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.49 g/mol | CAS Common Chemistry |
| 211.93637924 g/mol | RDKit | |
| 210.488 g/mol | RDKit | |
| 218.552 g/mol | chempirical lib | |
| Density | 9.70 g/cm³ | CAS Common Chemistry |
| 9.7 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hafnium(IV)_oxide | CAS Common Chemistry |
| Canonical SMILES | O=[Hf]=O | CAS Common Chemistry |
| InChI | InChI=1S/Hf.2O | CAS Common Chemistry |
| InChI Key | InChIKey=CJNBYAVZURUTKZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2780 °C | CAS Common Chemistry |
| Name | Hafnium oxide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.0 Ų | RDKit |
| LogP | -0.2401 | RDKit |
| Molar Refractivity | 1.373 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 210.488 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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.
External Resources
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MW = 210.49 g/mol; density = 9.700 g/mL. Edit any field — others recompute live.
