rel-(1R,2S,4R)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic acid
Chemical Structure Depiction of
rel-(1R,2S,4R)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic acid
rel-(1R,2S,4R)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic acid
Compound characteristics
| Compound ID: | 8020-3614 |
| Compound Name: | rel-(1R,2S,4R)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic acid |
| Molecular Weight: | 262.3 |
| Molecular Formula: | C15 H18 O4 |
| Smiles: | C[C@@]1(CC[C@H](C(O)=O)[C@@H](C1)C(O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7223 |
| logD: | -1.2486 |
| logSw: | -2.6928 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.975 |
| InChI Key: | KCSPTEJMOZSQKU-ZOWXZIJZSA-N |