4-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid
4-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3553-1512 |
| Compound Name: | 4-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 384.38 |
| Molecular Formula: | C21 H20 O7 |
| Smiles: | CC(C)(C)C1(C)OC(C(=Cc2ccc(c3ccc(cc3)C(O)=O)o2)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5885 |
| logD: | 0.8607 |
| logSw: | -4.4543 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.326 |
| InChI Key: | YMLZOMNPIWWXKZ-UHFFFAOYSA-N |