4-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]furan-2-yl}benzoic acid
4-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 4181-4344 |
| Compound Name: | 4-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 382.37 |
| Molecular Formula: | C21 H18 O7 |
| Smiles: | C1CCC2(CC1)OC(C(=Cc1ccc(c3ccc(cc3)C(O)=O)o1)C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1143 |
| logD: | 0.3865 |
| logSw: | -4.3002 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.307 |
| InChI Key: | DRGGVPQBXLTNCR-UHFFFAOYSA-N |