ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylate
Chemical Structure Depiction of
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylate
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylate
Compound characteristics
| Compound ID: | 6737-0888 |
| Compound Name: | ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylate |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C22 H20 O7 |
| Smiles: | CCc1cc2C(C(=C(C(=O)OCC)Oc2cc1O)c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1495 |
| logD: | 2.9754 |
| logSw: | -3.0886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.403 |
| InChI Key: | OXFXKTGLNKCECN-UHFFFAOYSA-N |