4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Chemical Structure Depiction of
4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Compound characteristics
| Compound ID: | 8011-2974 |
| Compound Name: | 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid |
| Molecular Weight: | 167.16 |
| Molecular Formula: | C8 H9 N O3 |
| Smiles: | Cc1c(C=O)c(C)[nH]c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4999 |
| logD: | -2.4132 |
| logSw: | -0.8209 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.787 |
| InChI Key: | ATIAZNFYOJDAIO-UHFFFAOYSA-N |