3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]prop-2-enoic acid
Chemical Structure Depiction of
3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]prop-2-enoic acid
3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]prop-2-enoic acid
Compound characteristics
| Compound ID: | 8018-3403 |
| Compound Name: | 3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]prop-2-enoic acid |
| Molecular Weight: | 295.25 |
| Molecular Formula: | C13 H13 N O7 |
| Smiles: | CCOC(COc1ccc(/C=C/C(O)=O)cc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8304 |
| logD: | -1.3602 |
| logSw: | -2.0529 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.447 |
| InChI Key: | BHXLLSVOHJUCBH-UHFFFAOYSA-N |