HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3-Dihydro-2,6-pyridinedicarboxylic acid
2,3-dihydropyridine-2,6-dicarboxylic acid · 2,6-Pyridinedicarboxylic acid, 2,3-dihydro-
Identifiers & Physical Properties
| CAS No. | 16052-12-3 |
|---|---|
| Molecular formula | C7H7NO4 |
| Average molar mass | 169.13 g/mol |
| Monoisotopic mass | 169.0375077 g/mol |
| SMILES | O=C(O)C1=NC(C(=O)O)CC=C1 |
| InChIKey | UWOCFOFVIBZJGH-UHFFFAOYSA-N |
| PubChem CID | 17 |
| ChEBI | CHEBI:48052 |
| DTXSID | DTXSID50274254 |
Chemical & Physical Properties
| XLogP | -0.1 |
|---|---|
| Topological polar surface area | 87 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 279 |
| Boiling point | 440.5±55.0 °C(Predicted) |
| Density | 1.53±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | -2.15±0.40(Predicted) |