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Sodium Propionate
CAS: 137-40-6 | C3H6NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
137-40-6
Molecular Formula:
C3H6NaO2
Molecular Mass:
97.07 g/mol
Names and Synonyms:
Sodium Propionate
Propanoic acid, sodium salt (1:1)
Propionic acid, sodium salt
Propanoic acid, sodium salt
Impedex
Mycoban
Napropion
Ocuseptine
Sodium propionate
Whit-Pro
Bioban-S
Sodium propanoate
Deketon
Propiofar
Propion
Propi-Ophtal
Propisol
Sodium ethanecarboxylate
Identifiers:
SMILES:
CCC(=O)O.[Na]
InChI:
InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);
Key Properties
Melting Point
298 °C
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 | 97.07 g/mol | CAS Common Chemistry |
| 97.06899999999999 g/mol | RDKit | |
| 97.02654871200001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_propionate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C(O)CC | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=AIISNCGKIQZINV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 298 °C | CAS Common Chemistry |
| Name | Sodium propionate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 0.10020000000000001 | RDKit |
| Molar Refractivity | 23.680799999999994 | RDKit |
