4-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid
Chemical Structure Depiction of
4-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid
4-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid
Compound characteristics
| Compound ID: | 4986-1234 |
| Compound Name: | 4-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C18 H16 O6 |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OCc1cc(C(O)=O)oc1C |
| Stereo: | ACHIRAL |
| logP: | 2.6726 |
| logD: | -0.6176 |
| logSw: | -2.8621 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.121 |
| InChI Key: | GXBLGCBHYFCKEZ-UHFFFAOYSA-N |