rel-(4R,5R)-6,8-dioxabicyclo[3.2.1]octan-4-yl benzoate
Chemical Structure Depiction of
rel-(4R,5R)-6,8-dioxabicyclo[3.2.1]octan-4-yl benzoate
rel-(4R,5R)-6,8-dioxabicyclo[3.2.1]octan-4-yl benzoate
Compound characteristics
| Compound ID: | 8019-4462 |
| Compound Name: | rel-(4R,5R)-6,8-dioxabicyclo[3.2.1]octan-4-yl benzoate |
| Molecular Weight: | 234.25 |
| Molecular Formula: | C13 H14 O4 |
| Smiles: | C1CC([C@@H]2OCC1O2)OC(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9086 |
| logD: | 1.9086 |
| logSw: | -1.8942 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.26 |
| InChI Key: | KOPDAWYQWUDPQJ-XIVSLSHWSA-N |