3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enoic acid
Chemical Structure Depiction of
3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enoic acid
3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enoic acid
Compound characteristics
| Compound ID: | 8019-8459 |
| Compound Name: | 3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enoic acid |
| Molecular Weight: | 303.27 |
| Molecular Formula: | C14 H13 N3 O5 |
| Smiles: | COc1ccc(/C=C/C(O)=O)cc1Cn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0703 |
| logD: | -1.1203 |
| logSw: | -2.4335 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.14 |
| InChI Key: | XGUBWDYKUHBGMM-UHFFFAOYSA-N |