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Sodium Isopropoxide
CAS: 683-60-3 | C3H8NaO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
683-60-3
Molecular Formula:
C3H8NaO
Molecular Weight:
83.086 g/mol
Names and Synonyms:
Sodium Isopropoxide
Common Name
Sodium propan-2-olate
Synonym
Isopropanol sodium salt
Synonym
Sodium isopropanolate
Synonym
Isopropoxysodium
Synonym
Sodium isopropyl oxide
Synonym
Sodium isopropylate
Synonym
2-Propanol, sodium salt
Synonym
Sodium isopropoxide
Synonym
Isopropyl alcohol, sodium salt
Synonym
2-Propanol, sodium salt (1:1)
Synonym
Identifiers:
SMILES:
CC(C)O.[Na]
InChI:
InChI=1S/C3H8O.Na/c1-3(2)4;/h3-4H,1-2H3;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Failed to fetch
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 | 83.09 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| cas-canonical-smile | [Na].OC(C)C None | Legacy Database |
| cas-density | 0.9 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H8O.Na/c1-3(2)4;/h3-4H,1-2H3; None | Legacy Database |
| cas-inchi-key | InChIKey=AGZVMFHCESVRRI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium isopropoxide None | Legacy Database |
| LogP | 0.006300000000000028 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 83.086 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 83.047284156 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 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 | 23.10879999999999 | RDKit |