5-cyano-7-methoxy-2H-1,3-benzodioxol-4-yl acetate
Chemical Structure Depiction of
5-cyano-7-methoxy-2H-1,3-benzodioxol-4-yl acetate
5-cyano-7-methoxy-2H-1,3-benzodioxol-4-yl acetate
Compound characteristics
| Compound ID: | 8020-4632 |
| Compound Name: | 5-cyano-7-methoxy-2H-1,3-benzodioxol-4-yl acetate |
| Molecular Weight: | 235.19 |
| Molecular Formula: | C11 H9 N O5 |
| Smiles: | CC(=O)Oc1c(C#N)cc(c2c1OCO2)OC |
| Stereo: | ACHIRAL |
| logP: | 1.3255 |
| logD: | 1.3255 |
| logSw: | -1.8346 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.333 |
| InChI Key: | KNOCSGBYKRYSBI-UHFFFAOYSA-N |