Back to Search
Molecule
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 Mass
- 139.47 g/mol
Identifiers
CAS Registry Number
557-28-8
SMILES
CCC(=O)O.[Zn]
InChI Key
AUSHVNXPCANHRL-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O2.Zn/c1-2-3(4)5;/h2H2,1H3,(H,4,5);
Names and Synonyms
- Zinc Propionate Synonym
- Propanoic acid, zinc salt (2:1) Synonym
- Propionic acid, zinc salt Synonym
- Zinc propionate Synonym
- Propanoic acid, zinc salt Synonym
- Gyna-Plex Synonym
- Zinc dipropionate Synonym
- Zinc propanoate Synonym
- AV 23636 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.47 g/mol | CAS Common Chemistry |
| 139.469 g/mol | RDKit | |
| 141.475 g/mol | chempirical lib | |
| Canonical SMILES | [Zn].O=C(O)CC | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O2.Zn/c1-2-3(4)5;/h2H2,1H3,(H,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=AUSHVNXPCANHRL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zinc 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 | 0.4785 | RDKit |
| Molar Refractivity | 17.9268 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 137.965921632 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 139.47 g/mol. Edit any field — others recompute live.
