methyl 2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
methyl 2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4167-0076 |
| Compound Name: | methyl 2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 390.78 |
| Molecular Formula: | C19 H15 Cl O7 |
| Smiles: | CC1(C)OC(C(=Cc2ccc(c3ccc(c(c3)C(=O)OC)[Cl])o2)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1203 |
| logD: | 4.1203 |
| logSw: | -4.6291 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.188 |
| InChI Key: | CNTAKTRTGLHPNW-UHFFFAOYSA-N |