HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(2,5-Dioxopyrrolidin-1-yl)isoindole-1,3-dione
2-(2,5-dioxopyrrolidin-1-yl)-1H-isoindole-1,3(2H)-dione · 1H-Isoindole-1,3(2H)-dione, 2-(2,5-dioxo-1-pyrrolidinyl)-
Identifiers & Physical Properties
| CAS No. | 4403-40-1 |
|---|---|
| Molecular formula | C12H8N2O4 |
| Average molar mass | 244.2 g/mol |
| Monoisotopic mass | 244.04840674 g/mol |
| SMILES | O=C1CCC(=O)N1N1C(=O)c2ccccc2C1=O |
| InChIKey | ZXWQGVZXWDSHND-UHFFFAOYSA-N |
| PubChem CID | 969302 |
| DTXSID | DTXSID60359541 |
Chemical & Physical Properties
| XLogP | 0 |
|---|---|
| Topological polar surface area | 74.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 419 |
| Melting point | 228-230 °C(Solv: benzene (71-43-2)) |
| Boiling point | 428.7±28.0 °C(Predicted) |
| Density | 1.638±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | -2.60±0.20(Predicted) |