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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 Mass
- 41.00 g/mol
Identifiers
CAS Registry Number
14014-06-3
SMILES
[2H][O-].[Na+]
InChI Key
HEMHJVSKTPXQMS-DYCDLGHISA-M
InChI
InChI=1S/Na.H2O/h;1H2/q+1;/p-1/i/hD
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 41.00 g/mol | CAS Common Chemistry |
| 41.003101778 g/mol | RDKit | |
| 41.0031 g/mol | RDKit | |
| 42.013 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_deuteroxide | CAS Common Chemistry |
| Canonical SMILES | [Na]O | CAS Common Chemistry |
| InChI | InChI=1S/Na.H2O/h;1H2/q+1;/p-1/i/hD | CAS Common Chemistry |
| InChI Key | InChIKey=HEMHJVSKTPXQMS-DYCDLGHISA-M | CAS Common Chemistry |
| Name | Sodium hydroxide-d | CAS Common Chemistry |
| Sodium deuteroxide | CAS Common Chemistry | |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 30.0 Ų | RDKit |
| LogP | -3.1728 | RDKit |
| Molar Refractivity | 1.9358 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 40.998785678 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.
