3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid
Chemical Structure Depiction of
3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid
3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid
Compound characteristics
| Compound ID: | R052-2091 |
| Compound Name: | 3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid |
| Molecular Weight: | 220.27 |
| Molecular Formula: | C13 H16 O3 |
| Smiles: | CC(C)COc1ccc(/C=C/C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5582 |
| logD: | 0.3676 |
| logSw: | -3.3945 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.121 |
| InChI Key: | NZUIHGSLMBYAMW-UHFFFAOYSA-N |