methyl 2-[(6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propanoate
Chemical Structure Depiction of
methyl 2-[(6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propanoate
methyl 2-[(6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propanoate
Compound characteristics
| Compound ID: | Y040-0094 |
| Compound Name: | methyl 2-[(6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propanoate |
| Molecular Weight: | 324.76 |
| Molecular Formula: | C16 H17 Cl O5 |
| Smiles: | CCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.984 |
| logD: | 3.984 |
| logSw: | -4.3913 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.695 |
| InChI Key: | AXOHAEJRCVPOFG-VIFPVBQESA-N |