1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-dione
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-dione
1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-dione
Compound characteristics
| Compound ID: | 8020-8101 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-dione |
| Molecular Weight: | 220.22 |
| Molecular Formula: | C12 H12 O4 |
| Smiles: | CC(CC(c1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4992 |
| logD: | 0.4803 |
| logSw: | -1.6424 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.644 |
| InChI Key: | YTYVRFQEADAYAE-UHFFFAOYSA-N |