5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | 4310-2077 |
| Compound Name: | 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 181.19 |
| Molecular Formula: | C9 H11 N O3 |
| Smiles: | CC(c1c(C)c(C(O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9815 |
| logD: | -2.0852 |
| logSw: | -0.9184 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.455 |
| InChI Key: | ZGJJSECHXQTROG-UHFFFAOYSA-N |