Back to Search
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 Mass:
48.00 g/mol
Names and Synonyms:
Ozone
Ozone
Triatomic oxygen
Oxygen, mol. (O3)
Ozone(16O16O16O)
Ozone (O3)
Healozone
Identifiers:
SMILES:
O=[O+][O-]
InChI:
InChI=1S/O3/c1-3-2
Key Properties
Boiling Point
-111.9 °C
CAS Common Chemistry
Melting Point
-192.7 °C
CAS Common Chemistry
Density
0.54 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 | 48.00 g/mol | CAS Common Chemistry |
| 47.997 g/mol | RDKit | |
| 47.98474386 g/mol | RDKit | |
| Density | 0.54 g/cm³ | CAS Common Chemistry |
| 0.537 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ozone | CAS Common Chemistry |
| Boiling Point | -111.9 °C | CAS Common Chemistry |
| Canonical SMILES | [O]O[O] | CAS Common Chemistry |
| InChI | InChI=1S/O3/c1-3-2 | CAS Common Chemistry |
| InChI Key | InChIKey=CBENFWSGALASAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -192.7 °C | CAS Common Chemistry |
| Name | Ozone | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 51.43 Ų | RDKit |
| LogP | -1.122 | RDKit |
| Molar Refractivity | 6.734 | RDKit |
