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Molecule
Sodium Isopropoxide
CAS: 683-60-3 · C3H8NaO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 683-60-3
- Molecular Formula
- C3H8NaO
- Molecular Mass
- 83.09 g/mol
Identifiers
CAS Registry Number
683-60-3
SMILES
CC(C)O.[Na]
InChI Key
AGZVMFHCESVRRI-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O.Na/c1-3(2)4;/h3-4H,1-2H3;
Names and Synonyms
- Sodium Isopropoxide Common Name
- 2-Propanol, sodium salt (1:1) Synonym
- Isopropyl alcohol, sodium salt Synonym
- Sodium isopropoxide Synonym
- 2-Propanol, sodium salt Synonym
- Sodium isopropylate Synonym
- Sodium isopropyl oxide Synonym
- Isopropoxysodium Synonym
- Sodium isopropanolate Synonym
- Isopropanol sodium salt Synonym
- Sodium propan-2-olate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 83.09 g/mol | CAS Common Chemistry |
| 83.086 g/mol | RDKit | |
| 84.094 g/mol | chempirical lib | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na].OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O.Na/c1-3(2)4;/h3-4H,1-2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=AGZVMFHCESVRRI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium isopropoxide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.006300000000000028 | RDKit |
| 0.0063 | RDKit | |
| Molar Refractivity | 23.10879999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 83.047284156 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 83.09 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
