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Molecule
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 Mass
- 32.00 g/mol
Identifiers
CAS Registry Number
7782-44-7
SMILES
O=O
InChI Key
MYMOFIZGZYHOMD-UHFFFAOYSA-N
InChI
InChI=1S/O2/c1-2
Names and Synonyms
- Triplet Oxygen Common Name
- Oxygen Synonym
- Oxygen molecule Synonym
- Molecular oxygen Synonym
- Dioxygen Synonym
- Phoenix I 2 A 7 Synonym
- Oxygen gas Synonym
- Medicinal Oxygen Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 32.00 g/mol | CAS Common Chemistry |
| 31.998 g/mol | RDKit | |
| Density | 3.42 g/cm³ | CAS Common Chemistry |
| 3.419 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triplet_oxygen | CAS Common Chemistry |
| Boiling Point | -182.96 °C | CAS Common Chemistry |
| Canonical SMILES | O=O | CAS Common Chemistry |
| InChI | InChI=1S/O2/c1-2 | CAS Common Chemistry |
| InChI Key | InChIKey=MYMOFIZGZYHOMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -218.4 °C | CAS Common Chemistry |
| Name | Oxygen | CAS Common Chemistry |
| Triplet oxygen | CAS Common Chemistry | |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 0.067 | RDKit |
| Molar Refractivity | 6.734 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 31.98982924 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 32.00 g/mol; density = 3.420 g/mL. Edit any field — others recompute live.
