HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 4-methyl-1-oxidopyridin-1-ium-3-carboxylate
ethyl 4-methyl-1-oxido-pyridine-3-carboxylate · 3-Pyridinecarboxylic acid, 4-methyl-, ethyl ester, 1-oxide
Identifiers & Physical Properties
| CAS No. | 6344-79-2 |
|---|---|
| Molecular formula | C9H11NO3 |
| Average molar mass | 181.19 g/mol |
| Monoisotopic mass | 181.07389321 g/mol |
| SMILES | CCOC(=O)c1c[n+]([O-])ccc1C |
| InChIKey | IDDYYPQXSZIAKS-UHFFFAOYSA-N |
| PubChem CID | 242575 |
| DTXSID | DTXSID80287498 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 184 |
| Boiling point | 347.5±22.0 °C(Predicted) |
| Density | 1.13±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 0.55±0.10(Predicted) |