Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylhex-3-ynoate
Also Known As: AC1L1PYV|RefChem:351901|3-alpha-Tropanyl phenyl(1-butynyl)glycolate|AC1Q6257|alpha-(1-Butynyl)mandelic acid 3-alpha-tropanyl ester|NCI60_022752|MANDELIC ACID, alpha-(1-BUTYNYL)-, 3-alpha-TROPANYL ESTER|8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 2-hydroxy-2-phenyl-3-hexynoate|(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenyl-hex-3-ynoate|(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylhex-3-ynoate|8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL 2-HYDROXY-2-PHENYLHEX-3-YNOATE
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18344 g/mol |
| LogP | 2.46 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 633.8 |
Chemical Identifiers
| CAS Number | 101756-52-9 |
|---|---|
| SMILES | CCC#CC(C1=CC=CC=C1)(C(=O)OC2CC3CCC(C2)N3C)O |
Product Overview
Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester (CAS 101756-52-9), with molecular formula C20H25NO3 and molecular weight 327.18344 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylhex-3-ynoate.
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