Back to Search
Triplet Oxygen
CAS: 7782-44-7 | O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7782-44-7
Molecular Formula:
O2
Molecular Weight:
31.998 g/mol
Names and Synonyms:
Triplet Oxygen
Common Name
Medicinal Oxygen
Synonym
Oxygen gas
Synonym
Phoenix I 2 A 7
Synonym
Dioxygen
Synonym
Molecular oxygen
Synonym
Oxygen molecule
Synonym
Oxygen
Synonym
Identifiers:
SMILES:
O=O
InChI:
InChI=1S/O2/c1-2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 31.998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 31.98982924 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 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 | 34.14 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.067 | RDKit |
| molecular_mass | 32.00 g/mol | Legacy Database |
| density | 3.42 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Triplet_oxygen None | Legacy Database |
| cas-boiling-point | -182.96 °C None | Legacy Database |
| cas-canonical-smile | O=O None | Legacy Database |
| cas-density | 3.419 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/O2/c1-2 None | Legacy Database |
| cas-inchi-key | InChIKey=MYMOFIZGZYHOMD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -218.4 °C None | Legacy Database |
| cas-name | Oxygen None | Legacy Database |
| wikipedia-name | Triplet oxygen None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 6.734 | RDKit |