HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,5-dihydroxy-2,3-dihydro-1H-isoindole-1,3-dione
Identifiers & Physical Properties
| Molecular formula | C8H5NO4 |
|---|---|
| Average molar mass | 179.13 g/mol |
| Monoisotopic mass | 179.02185764 g/mol |
| SMILES | O=C1NC(=O)c2c1ccc(O)c2O |
| InChIKey | DJAFPKRFXCOYCY-UHFFFAOYSA-N |
| PubChem CID | 16640982 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 86.6 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 265 |