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Molecule
Cadmium Niobium Oxide (Cd2Nb2O7)
CAS: 12187-14-3 · CdNbO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12187-14-3
- Molecular Formula
- CdNbO
- Molecular Mass
- 221.32 g/mol
Identifiers
CAS Registry Number
12187-14-3
SMILES
[Cd].[Nb].[O]
InChI Key
WIAUKXPKOSTTEA-UHFFFAOYSA-N
InChI
InChI=1S/Cd.Nb.O
Names and Synonyms
- Cadmium Niobium Oxide (Cd2Nb2O7) Synonym
- Cadmium niobium oxide (Cd2Nb2O7) Synonym
- Cadmium niobate(V) (Cd2Nb2O7) Synonym
- Niobate (Nb2O74-), cadmium (1:2) Synonym
- Cadmium niobate (Cd2Nb2O7) Synonym
- Cadmium pyroniobate (Cd2Nb2O7) Synonym
- Cadmium pyroniobate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.32 g/mol | CAS Common Chemistry |
| 222.80465122 g/mol | RDKit | |
| 221.317 g/mol | RDKit | |
| 228.375 g/mol | chempirical lib | |
| Canonical SMILES | [O].[Nb].[Cd] | CAS Common Chemistry |
| InChI | InChI=1S/Cd.Nb.O | CAS Common Chemistry |
| InChI Key | InChIKey=WIAUKXPKOSTTEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cadmium niobium oxide (Cd2Nb2O7) | 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 | 28.5 Ų | RDKit |
| LogP | -0.12380000000000001 | RDKit |
| -0.1238 | RDKit | |
| Molar Refractivity | 0.6865 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 221.317 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 221.32 g/mol. Edit any field — others recompute live.
