4-chloro-3-{5-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-chloro-3-{5-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid
4-chloro-3-{5-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3553-1563 |
| Compound Name: | 4-chloro-3-{5-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 424.79 |
| Molecular Formula: | C22 H13 Cl O7 |
| Smiles: | C(=C1C(=O)OC(c2ccccc2)OC1=O)c1ccc(c2cc(ccc2[Cl])C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.9829 |
| logD: | 1.6114 |
| logSw: | -4.7715 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.46 |
| InChI Key: | KWEVDKAPFCLICQ-UHFFFAOYSA-N |