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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 Weight:
109.07999999999997 g/mol
Names and Synonyms:
Sodium Methacrylate
Sodium methacrylate
2-Propenoic acid, 2-methyl-, sodium salt
Methacrylic acid, sodium salt
2-Propenoic acid, 2-methyl-, sodium salt (1:1)
Identifiers:
SMILES:
C=C(C)C(=O)O.[Na]
InChI:
InChI=1S/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);
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 | 109.07999999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 109.02654871200001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 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 | 0.2662999999999999 | RDKit |
| cas-inchi-key | InChIKey=PBCKVROHSSNSDY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 310 °C None | Legacy Database |
| cas-name | Sodium methacrylate None | Legacy Database |
| molecular_mass | 109.08 g/mol | Legacy Database |
| density | 2.70 g/cm³ | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)C(=C)C None | Legacy Database |
| cas-density | 2.703 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6); None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.20379999999999 | RDKit |
