HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[3-(Hydroxymethyl)cyclohexyl]isoindole-1,3-dione
![2-[3-(Hydroxymethyl)cyclohexyl]isoindole-1,3-dione molecular structure](/img/chemical/67385708.png)
Identifiers & Physical Properties
| Molecular formula | C15H17NO3 |
|---|---|
| Average molar mass | 259.3 g/mol |
| SMILES | O=C1c2ccccc2C(=O)N1C1CCCC(CO)C1 |
| InChIKey | DEFOJJKWYCFWLK-UHFFFAOYSA-N |
| PubChem CID | 67385708 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 57.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 358 |