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Molecule
Thorium Dioxide
CAS: 1314-20-1 · O2Th
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1314-20-1
- Molecular Formula
- O2Th
- Molecular Mass
- 264.04 g/mol
Identifiers
CAS Registry Number
1314-20-1
SMILES
[O].[O].[Th]
InChI Key
ZCUFMDLYAMJYST-UHFFFAOYSA-N
InChI
InChI=1S/2O.Th
Names and Synonyms
- Thorium Dioxide Common Name
- Thorium oxide (ThO2) Synonym
- Thoria Synonym
- Thorium dioxide Synonym
- Thorotrast Synonym
- Umbrathor Synonym
- Thorium oxide Synonym
- Thorium(IV) oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.04 g/mol | CAS Common Chemistry |
| 264.036 g/mol | RDKit | |
| 272.1 g/mol | chempirical lib | |
| Density | 10.00 g/cm³ | CAS Common Chemistry |
| 10.0 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thorium_dioxide | CAS Common Chemistry |
| Boiling Point | 4400 °C | CAS Common Chemistry |
| Canonical SMILES | O=[Th]=O | CAS Common Chemistry |
| InChI | InChI=1S/2O.Th | CAS Common Chemistry |
| InChI Key | InChIKey=ZCUFMDLYAMJYST-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 3390 °C | CAS Common Chemistry |
| Name | Thorium oxide (ThO2) | 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 | -0.2376 | RDKit |
| Molar Refractivity | 1.373 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 264.02788454 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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Quick conversion
MW = 264.04 g/mol; density = 10.000 g/mL. Edit any field — others recompute live.
