HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(3,5-Dimethoxyphenyl)-2-(phenylsulfanyl)acetic acid
Identifiers & Physical Properties
| Molecular formula | C16H16O4S |
|---|---|
| Average molar mass | 304.4 g/mol |
| SMILES | COc1cc(OC)cc(C(Sc2ccccc2)C(=O)O)c1 |
| InChIKey | CRKOYXMCVFZRDE-UHFFFAOYSA-N |
| PubChem CID | 67081798 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 81.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 318 |