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Ozone
CAS: 10028-15-6 | O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10028-15-6
Molecular Formula:
O3
Molecular Weight:
47.997 g/mol
Names and Synonyms:
Ozone
Common Name
Ozone (O3)
Synonym
Healozone
Synonym
Triatomic oxygen
Synonym
Ozone(16O16O16O)
Synonym
Oxygen, mol. (O3)
Synonym
Ozone
Synonym
Identifiers:
SMILES:
O=[O+][O-]
InChI:
InChI=1S/O3/c1-3-2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 48.00 g/mol | Legacy Database |
| density | 0.54 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ozone None | Legacy Database |
| cas-boiling-point | -111.9 °C None | Legacy Database |
| cas-canonical-smile | [O]O[O] None | Legacy Database |
| cas-density | 0.537 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/O3/c1-3-2 None | Legacy Database |
| cas-inchi-key | InChIKey=CBENFWSGALASAD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -192.7 °C None | Legacy Database |
| cas-name | Ozone None | Legacy Database |
| wikipedia-name | Ozone None | Legacy Database |
| LogP | -1.122 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 47.997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 47.98474386 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 51.43 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 6.734 | RDKit |