3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylic acid
Chemical Structure Depiction of
3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylic acid
3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylic acid
Compound characteristics
| Compound ID: | 8018-1704 |
| Compound Name: | 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylic acid |
| Molecular Weight: | 184.15 |
| Molecular Formula: | C7 H8 N2 O4 |
| Smiles: | Cc1c(c(C)[nH]c1C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.9381 |
| logD: | -1.6759 |
| logSw: | -1.0362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.408 |
| InChI Key: | KETFLRPGHDJTMS-UHFFFAOYSA-N |