3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
Chemical Structure Depiction of
3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
Compound characteristics
| Compound ID: | 5302-0105 |
| Compound Name: | 3-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C22 H20 O7 |
| Smiles: | Cc1ccc(cc1c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)o1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6235 |
| logD: | 1.5295 |
| logSw: | -4.2997 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.307 |
| InChI Key: | OAILVIMAUYGBEN-UHFFFAOYSA-N |