Mandelic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhex-3-ynoate
Also Known As: AC1L1PYS|RefChem:351902|3-Quinuclidyl phenyl(1-butynyl)glycolate|3-Quinuclidyl phenyl(1-butynyl)glycolate B|AC1Q621S|alpha-(1-Butynyl)mandelic acid 3-quinuclidinyl ester|J147.676I|MANDELIC ACID, alpha-(1-BUTYNYL)-, 3-QUINUCLIDINYL ESTER|1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhex-3-ynoate|1-azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenylhex-3-ynoate|(1s,4s)-1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhex-3-ynoate|alpha-(1-Butynyl)-alpha-hydroxybenzeneacetic acid 3-quinuclidinyl ester
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.1678 g/mol |
| LogP | 1.93 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 610.5 |
Chemical Identifiers
| CAS Number | 101756-51-8 |
|---|---|
| SMILES | CCC#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O |
Product Overview
Mandelic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester (CAS 101756-51-8), with molecular formula C19H23NO3 and molecular weight 313.1678 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhex-3-ynoate.
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