4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzene-1-sulfonate
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y041-5366 |
| Compound Name: | 4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C19 H16 O5 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc2C3CCCC=3C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7566 |
| logD: | 3.7566 |
| logSw: | -3.951 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.208 |
| InChI Key: | ZJKHMQOUHHAFEG-UHFFFAOYSA-N |