ethyl 2-cyano-3-(4-nitrophenyl)-3-oxopropanoate
Chemical Structure Depiction of
ethyl 2-cyano-3-(4-nitrophenyl)-3-oxopropanoate
ethyl 2-cyano-3-(4-nitrophenyl)-3-oxopropanoate
Compound characteristics
| Compound ID: | 8004-0518 |
| Compound Name: | ethyl 2-cyano-3-(4-nitrophenyl)-3-oxopropanoate |
| Molecular Weight: | 262.22 |
| Molecular Formula: | C12 H10 N2 O5 |
| Smiles: | CCOC(C(C#N)C(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6214 |
| logD: | -0.871 |
| logSw: | -2.1773 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.169 |
| InChI Key: | UKBSTFRRKWGHPS-JTQLQIEISA-N |