3,4-dimethyl-6-(4-methylbenzoyl)cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
3,4-dimethyl-6-(4-methylbenzoyl)cyclohex-3-ene-1-carboxylic acid
3,4-dimethyl-6-(4-methylbenzoyl)cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | 2687-0006 |
| Compound Name: | 3,4-dimethyl-6-(4-methylbenzoyl)cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 272.34 |
| Molecular Formula: | C17 H20 O3 |
| Smiles: | CC1CC(C(CC=1C)C(c1ccc(C)cc1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2246 |
| logD: | 1.0571 |
| logSw: | -3.1219 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.306 |
| InChI Key: | LSCGIYLABOLXML-UHFFFAOYSA-N |