2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | Y041-1135 |
| Compound Name: | 2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 390.35 |
| Molecular Formula: | C22 H14 O7 |
| Smiles: | Cc1ccc(/C=C2/C(c3ccc(cc3O2)OC(c2ccc3c(c2)OCO3)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.1407 |
| logD: | 4.1407 |
| logSw: | -4.4064 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.119 |
| InChI Key: | QTXMKLANNLPPNC-UHFFFAOYSA-N |