4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Chemical Structure Depiction of
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Compound characteristics
| Compound ID: | R052-2266 |
| Compound Name: | 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid |
| Molecular Weight: | 181.19 |
| Molecular Formula: | C9 H11 N O3 |
| Smiles: | CC(c1c(C)c(C(O)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6839 |
| logD: | -2.0285 |
| logSw: | -0.4972 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.455 |
| InChI Key: | SQFWNYAZHOVSPA-UHFFFAOYSA-N |