7-methoxy-2H-1,3-benzodioxole-5-carbonitrile
Chemical Structure Depiction of
7-methoxy-2H-1,3-benzodioxole-5-carbonitrile
7-methoxy-2H-1,3-benzodioxole-5-carbonitrile
Compound characteristics
| Compound ID: | 8020-0035 |
| Compound Name: | 7-methoxy-2H-1,3-benzodioxole-5-carbonitrile |
| Molecular Weight: | 177.16 |
| Molecular Formula: | C9 H7 N O3 |
| Smiles: | COc1cc(C#N)cc2c1OCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.5993 |
| logD: | 1.5993 |
| logSw: | -1.6068 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.725 |
| InChI Key: | FZYBNFQFTQHSMA-UHFFFAOYSA-N |