HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl octanoate
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl octanoate
Identifiers & Physical Properties
| CAS No. | 352005-50-6 |
|---|---|
| Molecular formula | C22H23NO4 |
| Average molar mass | 365.4 g/mol |
| SMILES | CCCCCCCC(=O)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 |
| InChIKey | WNFWJLDJVRDOHJ-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 5.1 |
|---|---|
| Topological polar surface area | 63.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 9 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 514 |