2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
Chemical Structure Depiction of
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
Compound characteristics
| Compound ID: | Y503-2382 |
| Compound Name: | 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid |
| Molecular Weight: | 213.19 |
| Molecular Formula: | C8 H11 N3 O4 |
| Smiles: | CCC(C(O)=O)n1c(C)cc(n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.305 |
| logD: | -3.4998 |
| logSw: | -0.9543 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.365 |
| InChI Key: | PLDJFKIGCVPYLK-LURJTMIESA-N |