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Molecule
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
Identifiers
CAS Registry Number
31098-21-2
SMILES
C=C(C)C(=O)OCCCS(=O)(=O)O.[K]
InChI Key
WQQULELGMPVNIF-UHFFFAOYSA-N
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);
Names and Synonyms
- 3-Sulfopropyl Methacrylate Potassium Salt Synonym
- 2-Propenoic acid, 2-methyl-, 3-sulfopropyl ester, potassium salt (1:1) Synonym
- Methacrylic acid, ester with 3-hydroxy-1-propanesulfonic acid potassium salt Synonym
- 2-Propenoic acid, 2-methyl-, 3-sulfopropyl ester, potassium salt Synonym
- 1-Propanesulfonic acid, 3-hydroxy-, methacrylate, potassium salt Synonym
- Potassium 3-(methacryloyloxy)propanesulfonate Synonym
- Potassium 3-sulfopropyl methacrylate Synonym
- SPM (salt) Synonym
- SPM Synonym
- 3-Sulfopropyl methacrylate potassium salt Synonym
- Potassium 3-(methacryloyloxy)-1-propanesulfonate Synonym
- Sulfopropyl methacrylate potassium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 247.33 g/mol | CAS Common Chemistry |
| 247.33299999999997 g/mol | RDKit | |
| 247.333 g/mol | RDKit | |
| 248.334 g/mol | chempirical lib | |
| 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 |
| 0.0028 | RDKit | |
| Molar Refractivity | 52.55960000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 247.004251164 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 247.33 g/mol. Edit any field — others recompute live.
