HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzoic acid, 4-hydroxy-, (2S)-2-methylbutyl ester
Identifiers & Physical Properties
| CAS No. | 85394-10-1 |
|---|---|
| Molecular formula | C12H16O3 |
| Average molar mass | 208.25 g/mol |
| Monoisotopic mass | 208.10994437 g/mol |
| SMILES | CC[C@H](C)COC(=O)c1ccc(O)cc1 |
| InChIKey | YCVMFKRVGOAHAA-VIFPVBQESA-N |
| PubChem CID | 13530950 |
| DTXSID | DTXSID90543097 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 195 |