3-[3-(methoxycarbonyl)-1H-pyrazol-1-yl]butanoic acid
Chemical Structure Depiction of
3-[3-(methoxycarbonyl)-1H-pyrazol-1-yl]butanoic acid
3-[3-(methoxycarbonyl)-1H-pyrazol-1-yl]butanoic acid
Compound characteristics
| Compound ID: | Y507-1217 |
| Compound Name: | 3-[3-(methoxycarbonyl)-1H-pyrazol-1-yl]butanoic acid |
| Molecular Weight: | 212.2 |
| Molecular Formula: | C9 H12 N2 O4 |
| Smiles: | CC(CC(O)=O)n1ccc(C(=O)OC)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4897 |
| logD: | -3.2792 |
| logSw: | -1.1486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.225 |
| InChI Key: | GQMLZYJDDNAULF-LURJTMIESA-N |