5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 2817-4333 |
| Compound Name: | 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 259.26 |
| Molecular Formula: | C14 H13 N O4 |
| Smiles: | Cc1ccc(C)n1c1cc(cc(c1)C(O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8214 |
| logD: | -2.2885 |
| logSw: | -2.8626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.944 |
| InChI Key: | CHAZFPQECCPFQK-UHFFFAOYSA-N |