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Molecule
Niobium Dioxide
CAS: 12034-59-2 · NbO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12034-59-2
- Molecular Formula
- NbO2
- Molecular Mass
- 124.90 g/mol
Identifiers
CAS Registry Number
12034-59-2
SMILES
[Nb].[O].[O]
InChI Key
HFLAMWCKUFHSAZ-UHFFFAOYSA-N
InChI
InChI=1S/Nb.2O
Names and Synonyms
- Niobium Dioxide Common Name
- Niobium oxide (NbO2) Synonym
- Niobium dioxide (NbO2) Synonym
- Niobium dioxide Synonym
- Niobium oxide (Nb2O4) Synonym
- Diniobium tetroxide Synonym
- 100G13 (oxide) Synonym
- 100G13 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.90 g/mol | CAS Common Chemistry |
| 124.904 g/mol | RDKit | |
| 131.96 g/mol | chempirical lib | |
| Density | 5.98 g/cm³ | CAS Common Chemistry |
| 5.98 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Niobium_dioxide | CAS Common Chemistry |
| Canonical SMILES | O=[Nb]=O | CAS Common Chemistry |
| InChI | InChI=1S/Nb.2O | CAS Common Chemistry |
| InChI Key | InChIKey=HFLAMWCKUFHSAZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Niobium oxide (NbO2) | 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 | 124.89620734 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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Quick conversion
MW = 124.90 g/mol; density = 5.980 g/mL. Edit any field — others recompute live.
