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Molecule
Sodium Methacrylate
CAS: 5536-61-8 · C4H6NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5536-61-8
- Molecular Formula
- C4H6NaO2
- Molecular Mass
- 109.08 g/mol
Identifiers
CAS Registry Number
5536-61-8
SMILES
C=C(C)C(=O)O.[Na]
InChI Key
PBCKVROHSSNSDY-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);
Names and Synonyms
- Sodium Methacrylate Common Name
- 2-Propenoic acid, 2-methyl-, sodium salt (1:1) Synonym
- Methacrylic acid, sodium salt Synonym
- 2-Propenoic acid, 2-methyl-, sodium salt Synonym
- Sodium methacrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 109.08 g/mol | CAS Common Chemistry |
| 109.07999999999997 g/mol | RDKit | |
| 110.088 g/mol | chempirical lib | |
| Density | 2.70 g/cm³ | CAS Common Chemistry |
| 2.703 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na].O=C(O)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=PBCKVROHSSNSDY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 310 °C | CAS Common Chemistry |
| Name | Sodium methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 0.2662999999999999 | RDKit |
| 0.2663 | RDKit | |
| Molar Refractivity | 28.20379999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 109.02654871200001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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Quick conversion
MW = 109.08 g/mol; density = 2.700 g/mL. Edit any field — others recompute live.
