benzyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetate
Chemical Structure Depiction of
benzyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetate
benzyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y040-7372 |
| Compound Name: | benzyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetate |
| Molecular Weight: | 384.81 |
| Molecular Formula: | C21 H17 Cl O5 |
| Smiles: | C1CC2=C(C1)c1cc(c(cc1OC2=O)OCC(=O)OCc1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4497 |
| logD: | 4.4497 |
| logSw: | -4.7293 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.295 |
| InChI Key: | DMDHQSIOYDYVTE-UHFFFAOYSA-N |