methyl 4-(3-chloro-4-methoxyphenyl)-2-hydroxy-4-oxobut-2-enoate
Chemical Structure Depiction of
methyl 4-(3-chloro-4-methoxyphenyl)-2-hydroxy-4-oxobut-2-enoate
methyl 4-(3-chloro-4-methoxyphenyl)-2-hydroxy-4-oxobut-2-enoate
Compound characteristics
| Compound ID: | 8020-1718 |
| Compound Name: | methyl 4-(3-chloro-4-methoxyphenyl)-2-hydroxy-4-oxobut-2-enoate |
| Molecular Weight: | 270.67 |
| Molecular Formula: | C12 H11 Cl O5 |
| Smiles: | COC(/C(=C/C(c1ccc(c(c1)[Cl])OC)=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8035 |
| logD: | 1.4173 |
| logSw: | -2.5714 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.851 |
| InChI Key: | CQUDYNBZUNRCDI-UHFFFAOYSA-N |