HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 2-(cyclopentylsulfonyl)benzoate
Identifiers & Physical Properties
| Molecular formula | C13H16O4S |
|---|---|
| Average molar mass | 268.33 g/mol |
| Monoisotopic mass | 268.07693016 g/mol |
| SMILES | COC(=O)c1ccccc1S(=O)(=O)C1CCCC1 |
| InChIKey | JFUPIGKJIQVXRN-UHFFFAOYSA-N |
| PubChem CID | 66877458 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 68.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 390 |