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Vanadium(Iv) Oxide
CAS: 12036-21-4 | O2V
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12036-21-4
Molecular Formula:
O2V
Molecular Weight:
82.94200000000001 g/mol
Names and Synonyms:
Vanadium(Iv) Oxide
Vanadium oxide (VO2)
Vanadium dioxide
Vanadium oxide (V2O4)
Divanadium tetroxide
Divanadium tetraoxide
Vanadium oxide (V4O8)
Vanadium oxide (V6O12)
Vanadium(IV) oxide
VS 400
VS 400 (oxide)
Identifiers:
SMILES:
[O].[O].[V]
InChI:
InChI=1S/2O.V
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 82.94 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Vanadium(IV)_oxide None | Legacy Database |
| cas-canonical-smile | O=[V]=O None | Legacy Database |
| cas-inchi | InChI=1S/2O.V None | Legacy Database |
| cas-inchi-key | InChIKey=GRUMUEUJTSXQOI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Vanadium dioxide None | Legacy Database |
| wikipedia-name | Vanadium(IV) oxide None | Legacy Database |
| LogP | -0.2401 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 82.94200000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 82.93378874 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 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 | 57.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 1.373 | RDKit |
