5-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-2-chlorobenzoic acid
Chemical Structure Depiction of
5-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-2-chlorobenzoic acid
5-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 4181-3666 |
| Compound Name: | 5-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-2-chlorobenzoic acid |
| Molecular Weight: | 418.83 |
| Molecular Formula: | C21 H19 Cl O7 |
| Smiles: | CCCCC1(C)OC(C(=Cc2ccc(c3ccc(c(c3)C(O)=O)[Cl])o2)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.191 |
| logD: | 0.7606 |
| logSw: | -5.2019 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.811 |
| InChI Key: | TVVMRMOOMVSGBH-UHFFFAOYSA-N |