4-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid
Chemical Structure Depiction of
4-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid
4-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid
Compound characteristics
| Compound ID: | 4986-1232 |
| Compound Name: | 4-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C18 H16 O6 |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OCc1cc(C(O)=O)oc1C |
| Stereo: | ACHIRAL |
| logP: | 2.5561 |
| logD: | -0.7342 |
| logSw: | -2.739 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.607 |
| InChI Key: | AKGWAINBAUTECY-UHFFFAOYSA-N |