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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
Names and Synonyms:
Sulfur Trioxide
Sulfur trioxide
Sulfur oxide (SO3)
Sulfuric anhydride
Nisso Sulfan
Identifiers:
SMILES:
O=S(=O)=O
InChI:
InChI=1S/O3S/c1-4(2)3
Key Properties
Boiling Point
45 °C
CAS Common Chemistry
Melting Point
16.8 °C
CAS Common Chemistry
Density
1.90 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 | 80.06 g/mol | CAS Common Chemistry |
| 80.064 g/mol | RDKit | |
| 79.95681486000001 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 9.6972 | RDKit |
