HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-methylpyridine-2-sulfonic Acid
-METHYLPYRIDINE-2-SULFONIC ACID · 4-Methylpyridine-2-sulfonic acid · 4-Methyl-2-pyridinesulfonic acid · 2-Pyridinesulfonic acid, 4-methyl-

Identifiers & Physical Properties
| CAS No. | 18616-04-1 |
|---|---|
| Molecular formula | C6H7NO3S |
| Average molar mass | 173.19 g/mol |
| Monoisotopic mass | 173.01466426 g/mol |
| SMILES | Cc1ccnc(S(=O)(=O)O)c1 |
| InChIKey | CPONZDBBPJRDSU-UHFFFAOYSA-N |
| PubChem CID | 2762831 |
| DTXSID | DTXSID80376492 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 75.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 218 |
| Density | 1.422 |
| pKa (acidity coefficient) | -2.85±0.33(Predicted) |