8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl benzoate
Chemical Structure Depiction of
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl benzoate
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl benzoate
Compound characteristics
| Compound ID: | Y040-1270 |
| Compound Name: | 8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl benzoate |
| Molecular Weight: | 340.76 |
| Molecular Formula: | C19 H13 Cl O4 |
| Smiles: | C1CC2=C(C1)c1cc(c(cc1OC2=O)OC(c1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1667 |
| logD: | 4.1667 |
| logSw: | -4.6075 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.911 |
| InChI Key: | BIWPHWAMZSFSGM-UHFFFAOYSA-N |