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Molecule
Zinc Acetate Dihydrate
CAS: 5970-45-6 · C2H6O3Zn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5970-45-6
- Molecular Formula
- C2H6O3Zn
- Molecular Mass
- 143.46 g/mol
Identifiers
CAS Registry Number
5970-45-6
SMILES
CC(=O)O.O.[Zn]
InChI Key
AJBKKRFPIWOFAE-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.H2O.Zn/c1-2(3)4;;/h1H3,(H,3,4);1H2;
Names and Synonyms
- Zinc Acetate Dihydrate Synonym
- Acetic acid, zinc salt, hydrate (2:1:2) Synonym
- Acetic acid, zinc salt, dihydrate Synonym
- Zinc acetate dihydrate Synonym
- Zinc diacetate dihydrate Synonym
- Wilzin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.46 g/mol | CAS Common Chemistry |
| 143.457 g/mol | RDKit | |
| 145.463 g/mol | chempirical lib | |
| Canonical SMILES | [Zn].O=C(O)C.O | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.H2O.Zn/c1-2(3)4;;/h1H3,(H,3,4);1H2; | CAS Common Chemistry |
| InChI Key | InChIKey=AJBKKRFPIWOFAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zinc acetate dihydrate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 68.8 Ų | RDKit |
| LogP | -0.7363 | RDKit |
| Molar Refractivity | 16.9236 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 141.960836252 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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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 143.46 g/mol. Edit any field — others recompute live.
