6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | 2736-0019 |
| Compound Name: | 6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 258.32 |
| Molecular Formula: | C16 H18 O3 |
| Smiles: | CC1CC(C(CC=1C)C(c1ccccc1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6962 |
| logD: | 0.5286 |
| logSw: | -2.8983 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.306 |
| InChI Key: | NTBMZRJTZGTJRB-UHFFFAOYSA-N |