2-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8006-5076 |
| Compound Name: | 2-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 236.29 |
| Molecular Formula: | C12 H12 O3 S |
| Smiles: | C1C(C2COC(C1=O)O2)Sc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8693 |
| logD: | 1.8693 |
| logSw: | -2.1401 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.0175 |
| InChI Key: | DHCDASQHIRYVRW-UHFFFAOYSA-N |