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Heavy Water
CAS: 7789-20-0 | H2O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
7789-20-0
Molecular Formula:
H2O
Molecular Weight:
20.027203556 g/mol
Names and Synonyms:
Heavy Water
Dideuterium monoxide
Deuterium oxide-d2
Water-2H2
Deuterium oxide (D2O)
Heavy water
Heavy water-d2
Heavy water (D2O)
Dideuterium oxide
Deuterium oxide
Water, heavy (D2O)
Water-d2
Identifiers:
SMILES:
[2H]O[2H]
InChI:
InChI=1S/H2O/h1H2/i/hD2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 20.03 g/mol | Legacy Database |
| density | 1.10 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Heavy_water | Legacy Database | |
| cas-boiling-point | 101.42 °C | Legacy Database | |
| cas-canonical-smile | O | Legacy Database | |
| cas-density | 1.104 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/H2O/h1H2/i/hD2 | Legacy Database | |
| cas-inchi-key | InChIKey=XLYOFNOQVPJJNP-ZSJDYOACSA-N | Legacy Database | |
| cas-melting-point | 3.81 °C | Legacy Database | |
| cas-name | Water-d2 | Legacy Database | |
| wikipedia-name | Heavy water | Legacy Database | |
| LogP | -0.8247 | RDKit | |
| Molecular | Molecular Weight | 20.027203556 g/mol | RDKit |
| Exact | Exact Molecular Weight | 20.023118176 g/mol | RDKit |
| Heavy | Heavy Atom Count | 1 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 31.5 Ų | RDKit |
| Molar | Molar Refractivity | 3.6138 | RDKit |
