4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)but-3-en-2-one
Chemical Structure Depiction of
4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)but-3-en-2-one
4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)but-3-en-2-one
Compound characteristics
| Compound ID: | 8020-0149 |
| Compound Name: | 4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)but-3-en-2-one |
| Molecular Weight: | 250.25 |
| Molecular Formula: | C13 H14 O5 |
| Smiles: | CC(/C=C/c1cc(c2c(c1OC)OCO2)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6578 |
| logD: | 1.6578 |
| logSw: | -1.7442 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.405 |
| InChI Key: | HAJKZCUIPDKNQA-UHFFFAOYSA-N |