Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 3-quinuclidinyl ester
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate
Also Known As: AC1L1PUA|RefChem:351912|AC1Q621L|3-Quinuclidyl phenyl(3-methyl-1-pentynyl)glycolate A|3-Quinuclidyl phenyl(3-methyl-1-pentynyl)glycolate B|J147.724B|3-Quinuclidylphenyl(3-methyl-1-pentynyl)glycolateA|1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate|Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 3-quinuclidinyl ester|MANDELIC ACID, alpha-(3-METHYL-1-PENTYNYL)-, 3-QUINUCLIDINYL ESTER|mandelic acid, |A-(3-methyl-1-pentynyl)-, 3-quinuclidinyl ester|1-azabicyclo[2.2.2]octan-8-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate|(1s,4s)-1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate|alpha-(3-Methyl-1-pentynyl)-alpha-hydroxybenzeneacetic acid 3-quinuclidinyl ester
| Molecular Formula | C21H27NO3 |
|---|---|
| Molecular Weight | 341.1991 g/mol |
| LogP | 2.56 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1991 |
| Heavy Atoms | 25 |
| Complexity | 654.7 |
Chemical Identifiers
| CAS Number | 101711-10-8 |
|---|---|
| SMILES | CCC(C)C#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O |
Product Overview
Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 3-quinuclidinyl ester (CAS 101711-10-8), with molecular formula C21H27NO3 and molecular weight 341.1991 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate.
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