(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetic acid
Chemical Structure Depiction of
(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetic acid
(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetic acid
Compound characteristics
| Compound ID: | R052-0381 |
| Compound Name: | (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetic acid |
| Molecular Weight: | 230.13 |
| Molecular Formula: | C6 H6 N4 O6 |
| Smiles: | Cc1c(c(nn1CC(O)=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -1.2714 |
| logD: | -5.3445 |
| logSw: | -0.274 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.693 |
| InChI Key: | CIOCINHGDJSRDZ-UHFFFAOYSA-N |