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Magnesium Acetate
CAS: 142-72-3 | C2H4MgO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-72-3
Molecular Formula:
C2H4MgO2
Molecular Weight:
84.357 g/mol
Names and Synonyms:
Magnesium Acetate
Common Name
Magnesium acetate, Mg(OAc)2
Synonym
Magnesium diacetate
Synonym
Cromosan
Synonym
Acetic acid, magnesium salt
Synonym
Magnesium acetate
Synonym
Acetic acid, magnesium salt (2:1)
Synonym
Identifiers:
SMILES:
CC(=O)O.[Mg]
InChI:
InChI=1S/C2H4O2.Mg/c1-2(3)4;/h1H3,(H,3,4);
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 84.357 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 84.006171068 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.2899000000000001 | RDKit |
| molecular_mass | 84.36 g/mol | Legacy Database |
| density | 1.42 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Magnesium_acetate None | Legacy Database |
| cas-canonical-smile | [Mg].O=C(O)C None | Legacy Database |
| cas-density | 1.42 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2H4O2.Mg/c1-2(3)4;/h1H3,(H,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=QOBLJVUECBDJGF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 323 °C None | Legacy Database |
| cas-name | Magnesium acetate None | Legacy Database |
| wikipedia-name | Magnesium acetate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.063799999999997 | RDKit |