Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 3-quinuclidinyl ester
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
Also Known As: RefChem:351914|AC1L1PU1|AC1Q621K|NCI60_022743|J147.719F|3-Quinuclidyl phenyl(3-methyl-but-1-yn-3-enyl)glycolate A|3-Quinuclidyl phenyl(3-methyl-but-1-yn-3-enyl)glycolate B|MANDELIC ACID, alpha-(3-METHYLBUT-1-YN-3-ENYL)-, 3-QUINUCLIDINYL ESTER|1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-5-methyl-2-phenyl-5-hexen-3-ynoate|1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate|quinuclidin-3-yl 2-hydroxy-5-methyl-2-phenyl-hex-5-en-3-ynoate|(1s,4s)-1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate|alpha-Hydroxy-alpha-(3-methyl-1-butyn-3-enyl)benzeneacetic acid 3-quinuclidinyl ester
| Molecular Formula | C20H23NO3 |
|---|---|
| Molecular Weight | 325.1678 g/mol |
| LogP | 2.09 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.1678 |
| Heavy Atoms | 24 |
| Complexity | 679.8 |
Chemical Identifiers
| CAS Number | 101711-07-3 |
|---|---|
| SMILES | CC(=C)C#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O |
Product Overview
Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 3-quinuclidinyl ester (CAS 101711-07-3), with molecular formula C20H23NO3 and molecular weight 325.1678 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate.
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