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Selenium Trioxide
CAS: 13768-86-0 | O3Se
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13768-86-0
Molecular Formula:
O3Se
Molecular Weight:
126.95699999999998 g/mol
Names and Synonyms:
Selenium Trioxide
Selenium trioxide (SeO3)
Selenium trioxide
Selenium oxide (SeO3)
Identifiers:
SMILES:
O=[Se](=O)=O
InChI:
InChI=1S/O3Se/c1-4(2)3
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 |
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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
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 51.21 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.7372000000000001 | RDKit |
| molecular_mass | 126.96 g/mol | Legacy Database |
| density | 3.60 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Selenium_trioxide None | Legacy Database |
| cas-canonical-smile | O=[Se](=O)=O None | Legacy Database |
| cas-density | 3.6 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/O3Se/c1-4(2)3 None | Legacy Database |
| cas-inchi-key | InChIKey=VFLXBUJKRRJAKY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 118 °C None | Legacy Database |
| cas-name | Selenium trioxide None | Legacy Database |
| wikipedia-name | Selenium trioxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.813499999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 126.95699999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 127.90126516000001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 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 |
