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Selenium Dioxide
CAS: 7446-08-4 | O2Se
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7446-08-4
Molecular Formula:
O2Se
Molecular Weight:
110.95799999999998 g/mol
Names and Synonyms:
Selenium Dioxide
Selenium dioxide
Selenium(IV) oxide
NSC 56753
Selenium oxide (SeO2)
Identifiers:
SMILES:
O=[Se]=O
InChI:
InChI=1S/O2Se/c1-3-2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 110.95799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 111.90635054 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 34.14 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.6184000000000001 | RDKit |
| cas-melting-point | 340 °C None | Legacy Database |
| molecular_mass | 110.96 g/mol | Legacy Database |
| density | 3.95 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Selenium_dioxide None | Legacy Database |
| cas-canonical-smile | O=[Se]=O None | Legacy Database |
| cas-density | 3.954 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/O2Se/c1-3-2 None | Legacy Database |
| cas-inchi-key | InChIKey=JPJALAQPGMAKDF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Selenium dioxide None | Legacy Database |
| wikipedia-name | Selenium dioxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.126999999999999 | RDKit |
