4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile
4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile
Compound characteristics
| Compound ID: | 8020-0674 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile |
| Molecular Weight: | 219.24 |
| Molecular Formula: | C12 H13 N O3 |
| Smiles: | COc1ccc(cc1OC)C(CCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1853 |
| logD: | 1.1853 |
| logSw: | -2.02 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.238 |
| InChI Key: | VXADXTFGDCLVIC-UHFFFAOYSA-N |