(1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylic acid
(1S,2R,3S,4R)-3,4-diphenylcyclobutane-1,2-dicarboxylic acid
Also Known As: beta-Truxinate|beta-Truxinic acid|.beta.-Truxinic acid|I(2)-Truxinic acid|Oprea1_006790|CBDA-4 or beta-truxinic acid|(1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylic acid|3alpha,4alpha-Diphenylcyclobutane-1beta,2beta-dicarboxylic acid|(1alpha,2alpha,3beta,4beta)-3,4-Diphenyl-1,2-cyclobutanedicarboxylic acid|(1R,2S,3R,4S)-rel-3,4-diphenyl-cyclobutane-1,2- dicarboxylic acid|(1S)-3beta,4beta-Diphenyl-1alpha,2alpha-cyclobutanedicarboxylic acid|(1S)-3beta,4beta-Diphenylcyclobutane-1alpha,2alpha-dicarboxylic acid
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10486 g/mol |
| LogP | 2.9692 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.10486 |
| Monoisotopic Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 619.24805 |
Chemical Identifiers
| CAS Number | 528-34-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@@H]2[C@@H]([C@H]([C@H]2C(=O)O)C(=O)O)C3=CC=CC=C3 |
Product Overview
(1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylic acid (CAS 528-34-7), with molecular formula C18H16O4 and molecular weight 296.10486 g/mol. IUPAC: (1S,2R,3S,4R)-3,4-diphenylcyclobutane-1,2-dicarboxylic acid.