2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid
2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 4167-0075 |
| Compound Name: | 2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 376.75 |
| Molecular Formula: | C18 H13 Cl O7 |
| Smiles: | CC1(C)OC(C(=Cc2ccc(c3ccc(c(c3)C(O)=O)[Cl])o2)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7754 |
| logD: | -0.6549 |
| logSw: | -4.0238 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.422 |
| InChI Key: | KKYNHDQGFRBQTE-UHFFFAOYSA-N |