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Sodium Deuteroxide
CAS: 14014-06-3 | HNaO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14014-06-3
Molecular Formula:
HNaO
Molecular Weight:
41.003101778 g/mol
Names and Synonyms:
Sodium Deuteroxide
Synonym
Sodium hydroxide (Na(OD))
Synonym
Sodium hydroxide-d
Synonym
Sodium deuteroxide
Synonym
Deuterated sodium hydroxide
Synonym
Sodium deuteroxide (NaOD)
Synonym
Identifiers:
SMILES:
[2H][O-].[Na+]
InChI:
InChI=1S/Na.H2O/h;1H2/q+1;/p-1/i/hD
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 | 41.00 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_deuteroxide None | Legacy Database |
| cas-canonical-smile | [Na]O None | Legacy Database |
| cas-inchi | InChI=1S/Na.H2O/h;1H2/q+1;/p-1/i/hD None | Legacy Database |
| cas-inchi-key | InChIKey=HEMHJVSKTPXQMS-DYCDLGHISA-M None | Legacy Database |
| cas-name | Sodium hydroxide-d None | Legacy Database |
| wikipedia-name | Sodium deuteroxide None | Legacy Database |
| LogP | -3.1728 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 41.003101778 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 40.998785678 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 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 | 30.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 1.9358 | RDKit |