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Molecule
Bismuth Oxide (Bi2O4)
CAS: 12048-50-9 · Bi2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12048-50-9
- Molecular Formula
- Bi2O4
- Molecular Mass
- 481.96 g/mol
Identifiers
CAS Registry Number
12048-50-9
SMILES
[Bi].[Bi].[O].[O].[O].[O]
InChI Key
FKEROWXJVRBJRF-UHFFFAOYSA-N
InChI
InChI=1S/2Bi.4O
Names and Synonyms
- Bismuth Oxide (Bi2O4) Common Name
- Bismuth oxide (Bi2O4) Synonym
- Bismuth oxide (BiO2) Synonym
- Bismuth tetroxide Synonym
- Bismuth dioxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 481.96 g/mol | CAS Common Chemistry |
| 481.9560000000001 g/mol | RDKit | |
| 481.956 g/mol | RDKit | |
| 496.068 g/mol | chempirical lib | |
| Canonical SMILES | O=[Bi]O[Bi](=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/2Bi.4O | CAS Common Chemistry |
| InChI Key | InChIKey=FKEROWXJVRBJRF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bismuth oxide (Bi2O4) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 114.0 Ų | RDKit |
| LogP | -1.2368000000000001 | RDKit |
| -1.2368 | RDKit | |
| Molar Refractivity | 14.254000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 481.9404558799999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 481.96 g/mol. Edit any field — others recompute live.
