methyl 4-{[3-oxo-6-(propanoyloxy)-1-benzofuran-2(3H)-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[3-oxo-6-(propanoyloxy)-1-benzofuran-2(3H)-ylidene]methyl}benzoate
methyl 4-{[3-oxo-6-(propanoyloxy)-1-benzofuran-2(3H)-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | Y041-2765 |
| Compound Name: | methyl 4-{[3-oxo-6-(propanoyloxy)-1-benzofuran-2(3H)-ylidene]methyl}benzoate |
| Molecular Weight: | 352.34 |
| Molecular Formula: | C20 H16 O6 |
| Smiles: | CCC(=O)Oc1ccc2C(/C(=C/c3ccc(cc3)C(=O)OC)Oc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7254 |
| logD: | 3.7254 |
| logSw: | -4.1047 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.591 |
| InChI Key: | NBUBGCUAHBOJRU-UHFFFAOYSA-N |