6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
Chemical Structure Depiction of
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
Compound characteristics
| Compound ID: | Y040-1744 |
| Compound Name: | 6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C18 H19 Cl O4 |
| Smiles: | CC1=C(C)c2cc(c(cc2OC1=O)OC(C1CCCCC1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7674 |
| logD: | 4.7674 |
| logSw: | -4.9167 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.817 |
| InChI Key: | VLVWTSIUDNNAKN-UHFFFAOYSA-N |