4-(2H-1,3-benzodioxol-5-yl)butan-2-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)butan-2-one
4-(2H-1,3-benzodioxol-5-yl)butan-2-one
Compound characteristics
| Compound ID: | 8009-3725 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)butan-2-one |
| Molecular Weight: | 192.21 |
| Molecular Formula: | C11 H12 O3 |
| Smiles: | CC(CCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8673 |
| logD: | 1.8673 |
| logSw: | -2.0572 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.6889 |
| InChI Key: | TZJLGGWGVLADDN-UHFFFAOYSA-N |