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1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhex-3-ynoate

1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhex-3-ynoate structure

CAS No:
101756-51-8
Formula:
C19H23NO3
Chemical Name:
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhex-3-ynoate
Synonyms:
101756-51-8;3-Quinuclidyl phenyl(1-butynyl)glycolate B;3-Quinuclidyl phenyl(1-butynyl)glycolate;alpha-(1-Butynyl)mandelic acid 3-quinuclidinyl ester;MANDELIC ACID, alpha-(1-BUTYNYL)-, 3-QUINUCLIDINYL ESTER;DTXSID70906601;1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhex-3-ynoate;alpha-(1-Butynyl)-alpha-hydroxybenzeneacetic acid 3-quinuclidinyl ester

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1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhex-3-ynoate Basic Attributes

Molecular Weight：

313.4 g/mol

Exact Mass：

313.16779360 g/mol

Characteristics

PSA：

49.8 Å²

Computed Properties

Molecular Weight:313.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:313.16779360
Monoisotopic Mass:313.16779360
Topological Polar Surface Area:49.8
Heavy Atom Count:23
Complexity:491
Undefined Atom Stereocenter Count:2
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-2-phenylhex-3-ynoate

Basic Attributes
Characteristics
Computed Properties
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