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Molecule
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
Identifiers
CAS Registry Number
13768-86-0
SMILES
O=[Se](=O)=O
InChI Key
VFLXBUJKRRJAKY-UHFFFAOYSA-N
InChI
InChI=1S/O3Se/c1-4(2)3
Names and Synonyms
- Selenium Trioxide Common Name
- Selenium oxide (SeO3) Synonym
- Selenium trioxide Synonym
- Selenium trioxide (SeO3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.96 g/mol | CAS Common Chemistry |
| 127.90126516000001 g/mol | RDKit | |
| 126.957 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 |
| -0.7372 | RDKit | |
| Molar Refractivity | 7.813499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 126.95699999999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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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.
External Resources
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MW = 126.96 g/mol; density = 3.600 g/mL. Edit any field — others recompute live.
