12-chloro-2,2-dimethyl-3,4,7,8,9,10-hexahydro-2H,6H-benzo[d]benzo[1,2-b:5,6-b']dipyran-6-one
Chemical Structure Depiction of
12-chloro-2,2-dimethyl-3,4,7,8,9,10-hexahydro-2H,6H-benzo[d]benzo[1,2-b:5,6-b']dipyran-6-one
12-chloro-2,2-dimethyl-3,4,7,8,9,10-hexahydro-2H,6H-benzo[d]benzo[1,2-b:5,6-b']dipyran-6-one
Compound characteristics
| Compound ID: | Y040-3335 |
| Compound Name: | 12-chloro-2,2-dimethyl-3,4,7,8,9,10-hexahydro-2H,6H-benzo[d]benzo[1,2-b:5,6-b']dipyran-6-one |
| Molecular Weight: | 318.8 |
| Molecular Formula: | C18 H19 Cl O3 |
| Smiles: | CC1(C)CCc2c3c(cc(c2O1)[Cl])C1CCCCC=1C(=O)O3 |
| Stereo: | ACHIRAL |
| logP: | 5.2456 |
| logD: | 5.2456 |
| logSw: | -5.5666 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.782 |
| InChI Key: | PBNPYAUTNXUBTA-UHFFFAOYSA-N |