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Magnesium Acetate Tetrahydrate
CAS: 16674-78-5 | C2H8MgO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16674-78-5
Molecular Formula:
C2H8MgO4
Molecular Mass:
120.39 g/mol
Names and Synonyms:
Magnesium Acetate Tetrahydrate
Acetic acid, magnesium salt, hydrate (2:1:4)
Acetic acid, magnesium salt, tetrahydrate
Magnesium acetate tetrahydrate
Magnesium diacetate tetrahydrate
Magnesium acetate (Mg(OAc)2) tetrahydrate
Magnesium(2+) acetate tetrahydrate
Identifiers:
SMILES:
CC(=O)O.O.O.[Mg]
InChI:
InChI=1S/C2H4O2.Mg.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.39 g/mol | CAS Common Chemistry |
| 120.387 g/mol | RDKit | |
| 120.027300436 g/mol | RDKit | |
| Canonical SMILES | [Mg].O=C(O)C.O | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Mg.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DJPBREQVNDULLF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Magnesium acetate tetrahydrate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.3 Ų | RDKit |
| LogP | -1.9393000000000002 | RDKit |
| Molar Refractivity | 26.291399999999996 | RDKit |
