4-(2,5-dimethylphenyl)-4-oxobutanoic acid
Chemical Structure Depiction of
4-(2,5-dimethylphenyl)-4-oxobutanoic acid
4-(2,5-dimethylphenyl)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8756-0073 |
| Compound Name: | 4-(2,5-dimethylphenyl)-4-oxobutanoic acid |
| Molecular Weight: | 206.24 |
| Molecular Formula: | C12 H14 O3 |
| Smiles: | Cc1ccc(C)c(c1)C(CCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3705 |
| logD: | -0.3899 |
| logSw: | -2.5577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.869 |
| InChI Key: | XWTZKGVORJIFAF-UHFFFAOYSA-N |