(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)acetonitrile
Chemical Structure Depiction of
(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)acetonitrile
(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)acetonitrile
Compound characteristics
| Compound ID: | 8020-2281 |
| Compound Name: | (4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)acetonitrile |
| Molecular Weight: | 221.21 |
| Molecular Formula: | C11 H11 N O4 |
| Smiles: | COc1cc(CC#N)c(c2c1OCO2)OC |
| Stereo: | ACHIRAL |
| logP: | 1.5486 |
| logD: | 1.5486 |
| logSw: | -1.6827 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.562 |
| InChI Key: | IOBXWHOSUNTHIF-UHFFFAOYSA-N |