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3-Sulfopropyl Methacrylate Potassium Salt
CAS: 31098-21-2 | C7H12KO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
31098-21-2
Molecular Formula:
C7H12KO5S
Molecular Mass:
247.33 g/mol
Names and Synonyms:
3-Sulfopropyl Methacrylate Potassium Salt
2-Propenoic acid, 2-methyl-, 3-sulfopropyl ester, potassium salt (1:1)
Methacrylic acid, ester with 3-hydroxy-1-propanesulfonic acid potassium salt
2-Propenoic acid, 2-methyl-, 3-sulfopropyl ester, potassium salt
1-Propanesulfonic acid, 3-hydroxy-, methacrylate, potassium salt
Potassium 3-(methacryloyloxy)propanesulfonate
Potassium 3-sulfopropyl methacrylate
SPM (salt)
SPM
3-Sulfopropyl methacrylate potassium salt
Potassium 3-(methacryloyloxy)-1-propanesulfonate
Sulfopropyl methacrylate potassium salt
Identifiers:
SMILES:
C=C(C)C(=O)OCCCS(=O)(=O)O.[K]
InChI:
InChI=1S/C7H12O5S.K/c1-6(2)7(8)12-4-3-5-13(9,10)11;/h1,3-5H2,2H3,(H,9,10,11);
Key Properties
Melting Point
>300 °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 | 247.33 g/mol | CAS Common Chemistry |
| 247.33299999999997 g/mol | RDKit | |
| 247.004251164 g/mol | RDKit | |
| Canonical SMILES | [K].O=C(OCCCS(=O)(=O)O)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H12O5S.K/c1-6(2)7(8)12-4-3-5-13(9,10)11;/h1,3-5H2,2H3,(H,9,10,11); | CAS Common Chemistry |
| InChI Key | InChIKey=WQQULELGMPVNIF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C (decomp) | CAS Common Chemistry |
| Name | 3-Sulfopropyl methacrylate potassium salt | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.67 Ų | RDKit |
| LogP | 0.00280000000000008 | RDKit |
| Molar Refractivity | 52.55960000000002 | RDKit |
