(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
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![(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0c3a4cd66a0944bb97634489b3ef7ba2.png "(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate")
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
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CAS No:
101711-06-2
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Formula:
C21H25NO3
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Chemical Name:
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
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Synonyms:
Benzeneacetic acid,a-hydroxy-a-(3-methyl-3-buten-1-yn-1-yl)-,2-methyl-1-azabicyclo[2.2.2]oct-3-yl ester; 2-Methyl-1-azabicyclo[2.2.2]oct-3-yl 2-hydroxy-5-methyl-2-phenyl-5-hexen-3-ynoate; 2-Methyl-3-quinuclidyl phenyl(3-methyl-but-1-yn-3-enyl)glycolate;
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CAS No:
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate Basic Attributes
339.42800
339.18344366 g/mol
665860
Computed Properties
Molecular Weight:339.4
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:339.18344366
Monoisotopic Mass:339.18344366
Topological Polar Surface Area:49.8
Heavy Atom Count:25
Complexity:587
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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