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Molecule
Magnesium Acrylate
CAS: 5698-98-6 · C3H4MgO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5698-98-6
- Molecular Formula
- C3H4MgO2
- Molecular Mass
- 96.37 g/mol
Identifiers
CAS Registry Number
5698-98-6
SMILES
C=CC(=O)O.[Mg]
InChI Key
KCNHXBQWUUIBIG-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O2.Mg/c1-2-3(4)5;/h2H,1H2,(H,4,5);
Names and Synonyms
- Magnesium Acrylate Synonym
- 2-Propenoic acid, magnesium salt (2:1) Synonym
- Acrylic acid, magnesium salt Synonym
- Magnesium acrylate Synonym
- 2-Propenoic acid, magnesium salt Synonym
- Magnesium diacrylate Synonym
- PRO 5903 Synonym
- QM 203 Synonym
- MA 35 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 96.37 g/mol | CAS Common Chemistry |
| 96.368 g/mol | RDKit | |
| 98.384 g/mol | chempirical lib | |
| 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 |
| -0.1238 | RDKit | |
| Molar Refractivity | 23.586799999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 96.006171068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 96.37 g/mol. Edit any field — others recompute live.
