4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl methanesulfonate
Chemical Structure Depiction of
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl methanesulfonate
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl methanesulfonate
Compound characteristics
| Compound ID: | Y041-5364 |
| Compound Name: | 4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl methanesulfonate |
| Molecular Weight: | 280.3 |
| Molecular Formula: | C13 H12 O5 S |
| Smiles: | CS(=O)(=O)Oc1ccc2C3CCCC=3C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 1.6956 |
| logD: | 1.6956 |
| logSw: | -2.4998 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.596 |
| InChI Key: | SMUNEVDXYVHUFA-UHFFFAOYSA-N |