Mandelic acid, alpha-(1-pentynyl)-, 3-quinuclidinyl ester
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhept-3-ynoate
Also Known As: ACMC-20m4qm|AC1L1PUD|RefChem:351906|3-Quinuclidyl phenyl(1-pentynyl)glycolate|AC1Q621V|CTK4A0140|YNSMYWAXUANYJM-UHFFFAOYSA-N|J147.726I|1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhept-3-ynoate|MANDELIC ACID, alpha-(1-PENTYNYL)-, 3-QUINUCLIDINYL ESTER|Benzeneacetic acid, a-hydroxy-a-1-pentyn-1-yl-,1-azabicyclo[2.2.2]oct-3-yl ester|1-azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenylhept-3-ynoate|1-AZABICYCLO[2.2.2]OCT-8-YL 2-HYDROXY-2-PHENYL-HEPT-3-YNOATE|(1s,4s)-1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhept-3-ynoate|alpha-(1-Pentynyl)-alpha-hydroxybenzeneacetic acid 3-quinuclidinyl ester|Benzeneacetic acid, alpha-hydroxy-alpha-1-pentyn-1-yl-, 1-azabicyclo[2.2.2]oct-3-yl ester
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18344 g/mol |
| LogP | 2.32 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 625.3 |
Chemical Identifiers
| CAS Number | 101711-11-9 |
|---|---|
| SMILES | CCCC#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O |
Product Overview
Mandelic acid, alpha-(1-pentynyl)-, 3-quinuclidinyl ester (CAS 101711-11-9), with molecular formula C20H25NO3 and molecular weight 327.18344 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhept-3-ynoate.
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