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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
Names and Synonyms:
Sodium Isopropoxide
2-Propanol, sodium salt (1:1)
Isopropyl alcohol, sodium salt
Sodium isopropoxide
2-Propanol, sodium salt
Sodium isopropylate
Sodium isopropyl oxide
Isopropoxysodium
Sodium isopropanolate
Isopropanol sodium salt
Sodium propan-2-olate
Identifiers:
SMILES:
CC(C)O.[Na]
InChI:
InChI=1S/C3H8O.Na/c1-3(2)4;/h3-4H,1-2H3;
Key Properties
Density
0.90 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 83.09 g/mol | CAS Common Chemistry |
| 83.086 g/mol | RDKit | |
| 83.047284156 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 23.10879999999999 | RDKit |
