Back to Search
Niobium Monoxide
CAS: 12034-57-0 | NbO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12034-57-0
Molecular Formula:
NbO
Molecular Weight:
108.905 g/mol
Names and Synonyms:
Niobium Monoxide
Niobium oxide (Nb2O2)
Niobium monooxide
Niobium oxide (NbO)
Identifiers:
SMILES:
[Nb].[O]
InChI:
InChI=1S/Nb.O
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 108.905 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 108.90129272 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 28.5 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.1213 | RDKit |
| cas-canonical-smile | O=[Nb] None | Legacy Database |
| cas-inchi | InChI=1S/Nb.O None | Legacy Database |
| molecular_mass | 108.91 g/mol | Legacy Database |
| density | 7.55 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Niobium_monoxide None | Legacy Database |
| cas-inchi-key | InChIKey=BFRGSJVXBIWTCF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Niobium oxide (NbO) None | Legacy Database |
| wikipedia-name | Niobium monoxide None | Legacy Database |
| cas-density | 7.55 g/cm3 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 0.6865 | RDKit |
