3-{5-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
Chemical Structure Depiction of
3-{5-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
3-{5-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
Compound characteristics
| Compound ID: | 8014-3146 |
| Compound Name: | 3-{5-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid |
| Molecular Weight: | 404.37 |
| Molecular Formula: | C23 H16 O7 |
| Smiles: | Cc1ccc(cc1c1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)o1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8695 |
| logD: | 1.7755 |
| logSw: | -4.448 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.46 |
| InChI Key: | COZDLXYTQFQOHQ-UHFFFAOYSA-N |