HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(2-hydroxyethyl)-3H-isoindol-1-one
2,3-dihydro-2-(2-hydroxyethyl)-1H-Isoindol-1-one · 1H-Isoindol-1-one, 2,3-dihydro-2-(2-hydroxyethyl)-

Identifiers & Physical Properties
| CAS No. | 5334-06-5 |
|---|---|
| Molecular formula | C10H11NO2 |
| Average molar mass | 177.2 g/mol |
| Monoisotopic mass | 177.07897859 g/mol |
| SMILES | O=C1c2ccccc2CN1CCO |
| InChIKey | KXEOGXOYZNOFIE-UHFFFAOYSA-N |
| PubChem CID | 220105 |
| DTXSID | DTXSID70277449 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 205 |
| Melting point | 113-114 °C |
| Boiling point | 380.5±42.0 °C(Predicted) |
| Density | 1+-.0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.40±0.10(Predicted) |