1-methyl-3,4-dinitro-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
1-methyl-3,4-dinitro-1H-pyrazole-5-carboxylic acid
1-methyl-3,4-dinitro-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y503-2411 |
| Compound Name: | 1-methyl-3,4-dinitro-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 216.11 |
| Molecular Formula: | C5 H4 N4 O6 |
| Smiles: | Cn1c(C(O)=O)c(c(n1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.5547 |
| logD: | -6.7649 |
| logSw: | -0.0533 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.033 |
| InChI Key: | RCTJRSZLWUQNQS-UHFFFAOYSA-N |