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Molecule
Sulfur Trioxide
CAS: 7446-11-9 · O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7446-11-9
- Molecular Formula
- O3S
- Molecular Mass
- 80.06 g/mol
Identifiers
CAS Registry Number
7446-11-9
SMILES
O=S(=O)=O
InChI Key
AKEJUJNQAAGONA-UHFFFAOYSA-N
InChI
InChI=1S/O3S/c1-4(2)3
Names and Synonyms
- Sulfur Trioxide Common Name
- Sulfur trioxide Synonym
- Sulfur oxide (SO3) Synonym
- Sulfuric anhydride Synonym
- Nisso Sulfan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 80.06 g/mol | CAS Common Chemistry |
| 80.064 g/mol | RDKit | |
| 80.057 g/mol | chempirical lib | |
| Density | 1.90 g/cm³ | CAS Common Chemistry |
| 1.9 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfur_trioxide | CAS Common Chemistry |
| Boiling Point | 45 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/O3S/c1-4(2)3 | CAS Common Chemistry |
| InChI Key | InChIKey=AKEJUJNQAAGONA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 16.8 °C | CAS Common Chemistry |
| Name | Sulfur 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 | -1.0040999999999998 | RDKit |
| -1.0041 | RDKit | |
| Molar Refractivity | 9.6972 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 79.95681486000001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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 |
|---|
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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Quick conversion
MW = 80.06 g/mol; density = 1.900 g/mL. Edit any field — others recompute live.
