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Molecule
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
Identifiers
CAS Registry Number
137-40-6
SMILES
CCC(=O)O.[Na]
InChI Key
AIISNCGKIQZINV-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);
Names and Synonyms
- Sodium Propionate Common Name
- Propanoic acid, sodium salt (1:1) Synonym
- Propionic acid, sodium salt Synonym
- Propanoic acid, sodium salt Synonym
- Impedex Synonym
- Mycoban Synonym
- Napropion Synonym
- Ocuseptine Synonym
- Sodium propionate Synonym
- Whit-Pro Synonym
- Bioban-S Synonym
- Sodium propanoate Synonym
- Deketon Synonym
- Propiofar Synonym
- Propion Synonym
- Propi-Ophtal Synonym
- Propisol Synonym
- Sodium ethanecarboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 97.07 g/mol | CAS Common Chemistry |
| 97.06899999999999 g/mol | RDKit | |
| 97.069 g/mol | RDKit | |
| 98.077 g/mol | chempirical lib | |
| 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 |
| 0.1002 | RDKit | |
| Molar Refractivity | 23.680799999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 97.02654871200001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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 = 97.07 g/mol. Edit any field — others recompute live.
