HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Phthalidylpyrrole
Identifiers & Physical Properties
| Molecular formula | C12H9NO2 |
|---|---|
| Average molar mass | 199.2 g/mol |
| Monoisotopic mass | 199.06332853 g/mol |
| SMILES | O=C1OC(c2cc[nH]c2)c2ccccc21 |
| InChIKey | QOGXHXLRMMZEDU-UHFFFAOYSA-N |
| PubChem CID | 21425035 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 42.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 266 |