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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 Weight:
4.028203556 g/mol
Names and Synonyms:
Deuterium
Common Name
2H
Synonym
Deuterium mol.
Synonym
Dideuterium
Synonym
Deuterium (D2)
Synonym
Hydrogen-d2
Synonym
Hydrogen, isotope of mass 2
Synonym
Deuterium molecule
Synonym
Hydrogen-2
Synonym
Diplogen
Synonym
Deuterium
Synonym
Identifiers:
SMILES:
[2H][2H]
InChI:
InChI=1S/H2/h1H/i1+1D
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 | 4.03 g/mol | Legacy Database |
| density | 0.21 g/cm³ | Legacy Database |
| cas-boiling-point | -249.49 °C None | Legacy Database |
| cas-canonical-smile | [H][H] None | Legacy Database |
| cas-density | 0.2059 g/cm3 @ Temp: -269.0 °C None | Legacy Database |
| cas-inchi | InChI=1S/H2/h1H/i1+1D None | Legacy Database |
| cas-inchi-key | InChIKey=UFHFLCQGNIYNRP-VVKOMZTBSA-N None | Legacy Database |
| cas-name | Deuterium None | Legacy Database |
| LogP | 0.246 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 4.028203556 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 4.028203556 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 0 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 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 | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 2.114 | RDKit |