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Magnesium Acrylate
CAS: 5698-98-6 | C3H4MgO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5698-98-6
Molecular Formula:
C3H4MgO2
Molecular Mass:
96.37 g/mol
Names and Synonyms:
Magnesium Acrylate
2-Propenoic acid, magnesium salt (2:1)
Acrylic acid, magnesium salt
Magnesium acrylate
2-Propenoic acid, magnesium salt
Magnesium diacrylate
PRO 5903
QM 203
MA 35
Identifiers:
SMILES:
C=CC(=O)O.[Mg]
InChI:
InChI=1S/C3H4O2.Mg/c1-2-3(4)5;/h2H,1H2,(H,4,5);
Key Properties
Melting Point
>220 °C (decomp)
CAS Common Chemistry
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 | 96.37 g/mol | CAS Common Chemistry |
| 96.368 g/mol | RDKit | |
| 96.006171068 g/mol | RDKit | |
| Canonical SMILES | [Mg].O=C(O)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H4O2.Mg/c1-2-3(4)5;/h2H,1H2,(H,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=KCNHXBQWUUIBIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >220 °C (decomp) | CAS Common Chemistry |
| Name | Magnesium acrylate | 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 | -0.12380000000000008 | RDKit |
| Molar Refractivity | 23.586799999999993 | RDKit |
