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Poly(4-Styrenesulfonic Acid)
CAS: 28210-41-5 | C8H8O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
28210-41-5
Molecular Formula:
C8H8O3S
Molecular Mass:
184.22 g/mol
Names and Synonyms:
Poly(4-Styrenesulfonic Acid)
Benzenesulfonic acid, 4-ethenyl-, homopolymer
Benzenesulfonic acid, p-vinyl-, polymers
Poly(p-styrenesulfonic acid)
p-Styrenesulfonic acid polymer
Poly(4-styrenesulfonic acid)
p-Vinylbenzenesulfonic acid homopolymer
p-Styrenesulfonic acid homopolymer
Tolevamer
4-Vinylbenzenesulfonic acid homopolymer
Poly(4-vinylbenzenesulfonic acid)
4-Styrenesulfonic acid homopolymer
Identifiers:
SMILES:
C=Cc1ccc(S(=O)(=O)O)cc1
InChI:
InChI=1S/C8H8O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2,(H,9,10,11)
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 | 184.22 g/mol | CAS Common Chemistry |
| 184.216 g/mol | RDKit | |
| 184.019415116 g/mol | RDKit | |
| 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 |
| LogP | 1.5763000000000003 | RDKit |
| Molar Refractivity | 46.34760000000002 | RDKit |
