2-(3,4-diethoxyphenyl)-3-oxobutanenitrile
Chemical Structure Depiction of
2-(3,4-diethoxyphenyl)-3-oxobutanenitrile
2-(3,4-diethoxyphenyl)-3-oxobutanenitrile
Compound characteristics
| Compound ID: | 8020-0006 |
| Compound Name: | 2-(3,4-diethoxyphenyl)-3-oxobutanenitrile |
| Molecular Weight: | 247.29 |
| Molecular Formula: | C14 H17 N O3 |
| Smiles: | CCOc1ccc(cc1OCC)C(C#N)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8153 |
| logD: | 1.814 |
| logSw: | -2.1125 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.542 |
| InChI Key: | GFTYJJTVGZKMHE-LBPRGKRZSA-N |