methyl 4-(4-cyanophenyl)-2-hydroxy-4-oxobut-2-enoate
Chemical Structure Depiction of
methyl 4-(4-cyanophenyl)-2-hydroxy-4-oxobut-2-enoate
methyl 4-(4-cyanophenyl)-2-hydroxy-4-oxobut-2-enoate
Compound characteristics
| Compound ID: | 8020-2425 |
| Compound Name: | methyl 4-(4-cyanophenyl)-2-hydroxy-4-oxobut-2-enoate |
| Molecular Weight: | 231.2 |
| Molecular Formula: | C12 H9 N O4 |
| Smiles: | COC(/C(=C/C(c1ccc(C#N)cc1)=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0635 |
| logD: | 0.6774 |
| logSw: | -1.7251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.277 |
| InChI Key: | POVHHHSJQNORPX-UHFFFAOYSA-N |