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Zinc Propionate
CAS: 557-28-8 | C3H6O2Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
557-28-8
Molecular Formula:
C3H6O2Zn
Molecular Weight:
139.469 g/mol
Names and Synonyms:
Zinc Propionate
Propanoic acid, zinc salt (2:1)
Propionic acid, zinc salt
Zinc propionate
Propanoic acid, zinc salt
Gyna-Plex
Zinc dipropionate
Zinc propanoate
AV 23636
Identifiers:
SMILES:
CCC(=O)O.[Zn]
InChI:
InChI=1S/C3H6O2.Zn/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 | 139.47 g/mol | Legacy Database |
| cas-canonical-smile | [Zn].O=C(O)CC None | Legacy Database |
| cas-inchi | InChI=1S/C3H6O2.Zn/c1-2-3(4)5;/h2H2,1H3,(H,4,5); None | Legacy Database |
| cas-inchi-key | InChIKey=AUSHVNXPCANHRL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Zinc propionate None | Legacy Database |
| LogP | 0.4785 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 139.469 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.965921632 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 | 17.9268 | RDKit |
