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Molecule
Barium Niobium Oxide (Banb2O6)
CAS: 12009-14-2 · BaNbO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12009-14-2
- Molecular Formula
- BaNbO
- Molecular Mass
- 246.233 g/mol
Identifiers
CAS Registry Number
12009-14-2
SMILES
[Ba].[Nb].[O]
InChI Key
SCWRNQAEJRCWAI-UHFFFAOYSA-N
InChI
InChI=1S/Ba.Nb.O
Names and Synonyms
- Barium Niobium Oxide (Banb2O6) Common Name
- Barium niobium oxide (BaNb2O6) Synonym
- Niobate (NbO31-), barium (2:1) Synonym
- Barium niobate(V) (BaNb2O6) Synonym
- Niobium barium oxide (Nb2BaO6) Synonym
- Barium metaniobate (BaNb2O6) Synonym
- Barium niobate (BaNb2O6) Synonym
- Barium niobate (Ba(NbO3)2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [O].[Nb].[Ba] | CAS Common Chemistry |
| InChI | InChI=1S/Ba.Nb.O | CAS Common Chemistry |
| InChI Key | InChIKey=SCWRNQAEJRCWAI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium niobium oxide (BaNb2O6) | CAS Common Chemistry |
| Molecular Mass | 246.233 g/mol | RDKit |
| 246.80653992 g/mol | RDKit | |
| 253.288 g/mol | chempirical lib | |
| 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 | -0.5021 | RDKit |
| Molar Refractivity | 6.440499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 246.23 g/mol | CAS Common Chemistry |
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 |
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200 ppm
180
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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 = 246.23 g/mol. Edit any field — others recompute live.
