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Molecule
Poly(Sodium 4-Styrenesulfonate)
CAS: 25704-18-1 · C8H8NaO3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25704-18-1
- Molecular Formula
- C8H8NaO3S
- Molecular Mass
- 207.21 g/mol
Identifiers
CAS Registry Number
25704-18-1
SMILES
C=Cc1ccc(S(=O)(=O)O)cc1.[Na]
InChI Key
OMSKWMHSUQZBRS-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);
Names and Synonyms
- Poly(Sodium 4-Styrenesulfonate) Synonym
- Benzenesulfonic acid, 4-ethenyl-, sodium salt (1:1), homopolymer Synonym
- Benzenesulfonic acid, p-vinyl-, sodium salt, polymers Synonym
- Benzenesulfonic acid, 4-ethenyl-, sodium salt, homopolymer Synonym
- Poly(sodium p-styrenesulfonate) Synonym
- Poly(sodium p-vinylbenzenesulfonate) Synonym
- Sodium 4-vinylbenzenesulfonate polymer Synonym
- Poly(sodium 4-styrenesulfonate) Synonym
- Sodium 4-styrenesulfonate homopolymer Synonym
- Poly(sodium 4-styrenesulfonic acid) Synonym
- Sodium p-styrenesulfonate homopolymer Synonym
- Polynass PS 5 Synonym
- Polynass PS 50 Synonym
- Polynass PS 100 Synonym
- PS 5 Synonym
- PS 100 Synonym
- PS 50 Synonym
- Spinomar NaSS homopolymer Synonym
- Poly(4-styrenesulfonate sodium salt) Synonym
- Polynass PS 1 Synonym
- Polynass PS 35 Synonym
- PS 1 Synonym
- PS 15 Synonym
- 4-Styrenesulfonic acid sodium salt homopolymer Synonym
- Sodium 4-vinylbenzenesulfonate homopolymer Synonym
- 4-Vinylbenzenesulfonic acid sodium salt homopolymer Synonym
- Poly(sodium 4-vinylbenzenesulfonate) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.21 g/mol | CAS Common Chemistry |
| 207.20600000000002 g/mol | RDKit | |
| 207.206 g/mol | RDKit | |
| 208.207 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC=C(C=C)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O3S.Na/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=OMSKWMHSUQZBRS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Poly(sodium 4-styrenesulfonate) | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 1.1955 | RDKit |
| Molar Refractivity | 52.10160000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 207.009184396 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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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.
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MW = 207.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8NaO3S.
