2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate
2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate
Compound characteristics
| Compound ID: | Y041-3877 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate |
| Molecular Weight: | 338.31 |
| Molecular Formula: | C19 H14 O6 |
| Smiles: | CC(=O)Oc1ccc2C(/C(=C/c3ccc4c(c3)OCO4)Oc2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5139 |
| logD: | 3.5139 |
| logSw: | -3.7482 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59 |
| InChI Key: | NIYQTDYBNNFHIP-UHFFFAOYSA-N |