4-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid
Chemical Structure Depiction of
4-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid
4-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid
Compound characteristics
| Compound ID: | Y507-1153 |
| Compound Name: | 4-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid |
| Molecular Weight: | 243.22 |
| Molecular Formula: | C9 H13 N3 O5 |
| Smiles: | CCOc1c(cn(CCCC(O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.2899 |
| logD: | -2.4293 |
| logSw: | -0.7561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.116 |
| InChI Key: | VAYJJGBSDSHTOU-UHFFFAOYSA-N |