4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid
4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | K780-0914 |
| Compound Name: | 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 181.19 |
| Molecular Formula: | C9 H11 N O3 |
| Smiles: | Cc1c(C=O)c(C(O)=O)c(C)n1C |
| Stereo: | ACHIRAL |
| logP: | 0.4224 |
| logD: | -1.9521 |
| logSw: | -0.3645 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.585 |
| InChI Key: | FXVSUGBIKIXSGV-UHFFFAOYSA-N |