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Molecule
Deuterium
CAS: 7782-39-0 · H2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7782-39-0
- Molecular Formula
- H2
- Molecular Mass
- 4.03 g/mol
Identifiers
CAS Registry Number
7782-39-0
SMILES
[2H][2H]
InChI Key
UFHFLCQGNIYNRP-VVKOMZTBSA-N
InChI
InChI=1S/H2/h1H/i1+1D
Names and Synonyms
- Deuterium Common Name
- Deuterium Synonym
- Diplogen Synonym
- Hydrogen-2 Synonym
- Deuterium molecule Synonym
- Hydrogen, isotope of mass 2 Synonym
- Hydrogen-d2 Synonym
- Deuterium (D2) Synonym
- Dideuterium Synonym
- Deuterium mol. Synonym
- 2H Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 4.03 g/mol | CAS Common Chemistry |
| 4.028203556 g/mol | RDKit | |
| 4.0282 g/mol | RDKit | |
| Density | 0.21 g/cm³ | CAS Common Chemistry |
| 0.2059 g/cm3 @ -269.0 °C | CAS Common Chemistry | |
| Boiling Point | -249.49 °C | CAS Common Chemistry |
| Canonical SMILES | [H][H] | CAS Common Chemistry |
| InChI | InChI=1S/H2/h1H/i1+1D | CAS Common Chemistry |
| InChI Key | InChIKey=UFHFLCQGNIYNRP-VVKOMZTBSA-N | CAS Common Chemistry |
| Name | Deuterium | CAS Common Chemistry |
| Heavy Atom Count | 0 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.246 | RDKit |
| 0.25 | chempirical lib | |
| Molar Refractivity | 2.114 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 2.016 g/mol | chempirical lib |
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 = 4.03 g/mol; density = 0.210 g/mL. Edit any field — others recompute live.
