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Molecule
Poly(4-Styrenesulfonic Acid)
CAS: 28210-41-5 · C8H8O3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 28210-41-5
- Molecular Formula
- C8H8O3S
- Molecular Mass
- 184.22 g/mol
Identifiers
CAS Registry Number
28210-41-5
SMILES
C=Cc1ccc(S(=O)(=O)O)cc1
InChI Key
MAGFQRLKWCCTQJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2,(H,9,10,11)
Names and Synonyms
- Poly(4-Styrenesulfonic Acid) Common Name
- Benzenesulfonic acid, 4-ethenyl-, homopolymer Synonym
- Benzenesulfonic acid, p-vinyl-, polymers Synonym
- Poly(p-styrenesulfonic acid) Synonym
- p-Styrenesulfonic acid polymer Synonym
- Poly(4-styrenesulfonic acid) Synonym
- p-Vinylbenzenesulfonic acid homopolymer Synonym
- p-Styrenesulfonic acid homopolymer Synonym
- Tolevamer Synonym
- 4-Vinylbenzenesulfonic acid homopolymer Synonym
- Poly(4-vinylbenzenesulfonic acid) Synonym
- 4-Styrenesulfonic acid homopolymer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.22 g/mol | CAS Common Chemistry |
| 184.216 g/mol | RDKit | |
| 184.209 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(O)C1=CC=C(C=C)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2,(H,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=MAGFQRLKWCCTQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Poly(4-styrenesulfonic acid) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | 1.5763000000000003 | RDKit |
| 1.5763 | RDKit | |
| 1.42 | chempirical lib | |
| Molar Refractivity | 46.34760000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 184.019415116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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0 ppm
| 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 = 184.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8O3S.
