3-(4-methoxy-3-nitrophenyl)-3-oxopropanenitrile
Chemical Structure Depiction of
3-(4-methoxy-3-nitrophenyl)-3-oxopropanenitrile
3-(4-methoxy-3-nitrophenyl)-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 8020-4276 |
| Compound Name: | 3-(4-methoxy-3-nitrophenyl)-3-oxopropanenitrile |
| Molecular Weight: | 220.18 |
| Molecular Formula: | C10 H8 N2 O4 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(CC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8111 |
| logD: | -0.4587 |
| logSw: | -1.8192 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.688 |
| InChI Key: | WMUSLUFSIIENJD-UHFFFAOYSA-N |