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1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate

1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate structure

CAS No:
101711-10-8
Formula:
C21H27NO3
Chemical Name:
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate
Synonyms:
101711-10-8;3-Quinuclidyl phenyl(3-methyl-1-pentynyl)glycolate A;3-Quinuclidyl phenyl(3-methyl-1-pentynyl)glycolate B;DTXSID70906565;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;1-azabicyclo[2.2.2]octan-8-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate;alpha-(3-Methyl-1-pentynyl)-alpha-hydroxybenzeneacetic acid 3-quinuclidinyl ester

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1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate Basic Attributes

Molecular Weight：

341.4 g/mol

Exact Mass：

341.19909372 g/mol

Characteristics

PSA：

49.8 Å²

Computed Properties

Molecular Weight:341.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:341.19909372
Monoisotopic Mass:341.19909372
Topological Polar Surface Area:49.8
Heavy Atom Count:25
Complexity:534
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate

Basic Attributes
Characteristics
Computed Properties
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