2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid
Chemical Structure Depiction of
2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid
2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid
Compound characteristics
| Compound ID: | Y507-1151 |
| Compound Name: | 2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid |
| Molecular Weight: | 243.22 |
| Molecular Formula: | C9 H13 N3 O5 |
| Smiles: | CCC(C(O)=O)n1cc(c(n1)OCC)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0019 |
| logD: | -2.456 |
| logSw: | -1.178 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.55 |
| InChI Key: | LFTDSSZROBCEDQ-LURJTMIESA-N |