6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
Chemical Structure Depiction of
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
Compound characteristics
| Compound ID: | Y040-0457 |
| Compound Name: | 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate |
| Molecular Weight: | 320.77 |
| Molecular Formula: | C17 H17 Cl O4 |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1793 |
| logD: | 4.1793 |
| logSw: | -4.5407 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.302 |
| InChI Key: | VHGAVXIBDQOUDE-UHFFFAOYSA-N |