3-{5-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
Chemical Structure Depiction of
3-{5-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
3-{5-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
Compound characteristics
| Compound ID: | 6332-1077 |
| Compound Name: | 3-{5-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid |
| Molecular Weight: | 358.35 |
| Molecular Formula: | C22 H14 O5 |
| Smiles: | Cc1ccc(cc1c1ccc(C=C2C(c3ccccc3C2=O)=O)o1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9762 |
| logD: | 1.8822 |
| logSw: | -4.3442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.524 |
| InChI Key: | DYKVNHBLLHDFTK-UHFFFAOYSA-N |