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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
Names and Synonyms:
Niobium Dioxide
Niobium oxide (NbO2)
Niobium dioxide (NbO2)
Niobium dioxide
Niobium oxide (Nb2O4)
Diniobium tetroxide
100G13 (oxide)
100G13
Identifiers:
SMILES:
[Nb].[O].[O]
InChI:
InChI=1S/Nb.2O
Key Properties
Density
5.98 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.90 g/mol | CAS Common Chemistry |
| 124.904 g/mol | RDKit | |
| 124.89620734 g/mol | RDKit | |
| 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 |
| Niobium dioxide | 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 | RDKit |
