1-(6-amino-2H-1,3-benzodioxol-5-yl)ethan-1-one
Chemical Structure Depiction of
1-(6-amino-2H-1,3-benzodioxol-5-yl)ethan-1-one
1-(6-amino-2H-1,3-benzodioxol-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | R092-0046 |
| Compound Name: | 1-(6-amino-2H-1,3-benzodioxol-5-yl)ethan-1-one |
| Molecular Weight: | 179.17 |
| Molecular Formula: | C9 H9 N O3 |
| Smiles: | CC(c1cc2c(cc1N)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6355 |
| logD: | 1.6355 |
| logSw: | -1.8725 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.277 |
| InChI Key: | DWTHYSZSRJOMSC-UHFFFAOYSA-N |