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Sodium Ethoxide
CAS: 141-52-6 | C2H6NaO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
141-52-6
Molecular Formula:
C2H6NaO
Molecular Weight:
69.059 g/mol
Names and Synonyms:
Sodium Ethoxide
Ethoxysodium
Sodium ethanolate
Sodium ethylate
Sodium ethoxide
Caustic alcohol
Ethanol, sodium salt
Ethyl alcohol, sodium salt
Ethanol, sodium salt (1:1)
Sodium ethoxylate
Identifiers:
SMILES:
CCO.[Na]
InChI:
InChI=1S/C2H6O.Na/c1-2-3;/h3H,2H2,1H3;
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 | 69.06 g/mol | Legacy Database |
| density | 0.87 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_ethoxide None | Legacy Database |
| cas-canonical-smile | [Na].OCC None | Legacy Database |
| cas-density | 0.868 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2H6O.Na/c1-2-3;/h3H,2H2,1H3; None | Legacy Database |
| cas-inchi-key | InChIKey=SSVFMICWXDVRQN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium ethoxide None | Legacy Database |
| wikipedia-name | Sodium ethoxide None | Legacy Database |
| LogP | -0.38220000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 69.059 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 69.031634092 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.5138 | RDKit |
