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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 Mass:
126.96 g/mol
Names and Synonyms:
Selenium Trioxide
Selenium oxide (SeO3)
Selenium trioxide
Selenium trioxide (SeO3)
Identifiers:
SMILES:
O=[Se](=O)=O
InChI:
InChI=1S/O3Se/c1-4(2)3
Key Properties
Melting Point
118 °C
CAS Common Chemistry
Density
3.60 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 | 126.96 g/mol | CAS Common Chemistry |
| 126.95699999999998 g/mol | RDKit | |
| 127.90126516000001 g/mol | RDKit | |
| Density | 3.60 g/cm³ | CAS Common Chemistry |
| 3.6 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Selenium_trioxide | CAS Common Chemistry |
| Canonical SMILES | O=[Se](=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/O3Se/c1-4(2)3 | CAS Common Chemistry |
| InChI Key | InChIKey=VFLXBUJKRRJAKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118 °C | CAS Common Chemistry |
| Name | Selenium trioxide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 51.21 Ų | RDKit |
| LogP | -0.7372000000000001 | RDKit |
| Molar Refractivity | 7.813499999999999 | RDKit |
