HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(Trifluoromethyl)-3-hydroxybutyric acid methyl ester
Identifiers & Physical Properties
| Molecular formula | C6H9F3O3 |
|---|---|
| Average molar mass | 186.13 g/mol |
| SMILES | COC(=O)CC(C)(O)C(F)(F)F |
| InChIKey | SMVYTQYMEGOCJQ-UHFFFAOYSA-N |
| PubChem CID | 85646493 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 177 |