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Potassium Propanoate
CAS: 327-62-8 | C3H6KO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
327-62-8
Molecular Formula:
C3H6KO2
Molecular Weight:
113.17699999999999 g/mol
Names and Synonyms:
Potassium Propanoate
Potassium propionate
Potassium propanoate
Propionic acid, potassium salt
Propanoic acid, potassium salt
Identifiers:
SMILES:
CCC(=O)O.[K]
InChI:
InChI=1S/C3H6O2.K/c1-2-3(4)5;/h2H2,1H3,(H,4,5);
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 113.18 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Potassium_propanoate None | Legacy Database |
| cas-canonical-smile | [K].O=C(O)CC None | Legacy Database |
| cas-inchi | InChI=1S/C3H6O2.K/c1-2-3(4)5;/h2H2,1H3,(H,4,5); None | Legacy Database |
| cas-inchi-key | InChIKey=WEQIKOGPPFEIPX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 157 °C None | Legacy Database |
| cas-name | Potassium propionate None | Legacy Database |
| wikipedia-name | Potassium propanoate None | Legacy Database |
| LogP | 0.10020000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 113.17699999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 113.000486112 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.680799999999994 | RDKit |
