HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3,9,9a-tetrahydro-1H-carbazol-4(4aH)-one
2,3-Dihydro-1H-carbazol-4(9H)-one · RARECHEM AK MA K053 · 4-OXO-1,2,3,4-TETRAHYDROCARBAZOLE · 1,2,4a,9a-tetrahydro-4-oxo-carbazole · 1,2,3,4a,9,9a-hexahydrocarbazol-4-one · 1,2,3,9-TETRAHYDRO-4H-CARBAZOLE-4-ONE · 1,2,3,4-TETRAHYDRO-4H-CARBAZOLE-4-ONE · 1,2,3,4-TETRAHYDRO-9H-CARBAZOLE-4-ONE
Identifiers & Physical Properties
| CAS No. | 206647-27-0 |
|---|---|
| Molecular formula | C12H13NO |
| Average molar mass | 187.24 g/mol |
| Monoisotopic mass | 187.09971404 g/mol |
| SMILES | O=C1CCCC2Nc3ccccc3C12 |
| InChIKey | NHZRIEOWXAIDKA-UHFFFAOYSA-N |
| PubChem CID | 16050243 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 29.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 251 |
| Boiling point | 335.7±41.0 °C(Predicted) |
| Density | 1.148 |
| pKa (acidity coefficient) | 4.93±0.20(Predicted) |
| CAS DataBase Reference | 206647-27-0(CAS DataBase Reference) |