3-cyano-1-(2-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
Chemical Structure Depiction of
3-cyano-1-(2-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
3-cyano-1-(2-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
Compound characteristics
| Compound ID: | V031-2806 |
| Compound Name: | 3-cyano-1-(2-methoxyphenyl)-1H-pyrrole-2-carboxylic acid |
| Molecular Weight: | 242.23 |
| Molecular Formula: | C13 H10 N2 O3 |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1ccc(C#N)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2486 |
| logD: | -1.9495 |
| logSw: | -1.941 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.857 |
| InChI Key: | LUYUNHXFFRHLHJ-UHFFFAOYSA-N |