methyl 4-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
methyl 4-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
methyl 4-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-2001 |
| Compound Name: | methyl 4-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 412.39 |
| Molecular Formula: | C22 H20 O8 |
| Smiles: | CCOC(C(C)Oc1ccc2C(C(=COc2c1)Oc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.429 |
| logD: | 3.429 |
| logSw: | -3.6389 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.286 |
| InChI Key: | QGGUASXWHPTCFA-ZDUSSCGKSA-N |