3-(4-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
Chemical Structure Depiction of
3-(4-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
3-(4-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
Compound characteristics
| Compound ID: | Y507-1192 |
| Compound Name: | 3-(4-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid |
| Molecular Weight: | 213.19 |
| Molecular Formula: | C8 H11 N3 O4 |
| Smiles: | CC(CC(O)=O)n1cc(C)c(n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0473 |
| logD: | -2.7422 |
| logSw: | -0.5266 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.259 |
| InChI Key: | MRNATYICNGDOQT-LURJTMIESA-N |