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1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-5-methyl-2-phenylhex-3-enoate

1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-5-methyl-2-phenylhex-3-enoate structure

CAS No:
101711-05-1
Formula:
C20H27NO3
Chemical Name:
1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-5-methyl-2-phenylhex-3-enoate
Synonyms:
3-Quinuclidyl phenyl(cis-3-methyl-1-butenyl)glycolate B; 3-Quinuclidyl phenyl(cis-3-methyl-1-butenyl)glycolate A; 1-azabicyclo[2.2.2]oct-3-yl 2-hydroxy-5-methyl-2-phenylhex-3-enoate;

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1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-5-methyl-2-phenylhex-3-enoate Basic Attributes

Molecular Weight：

329.43300

Exact Mass：

329.19909372

Characteristics

PSA：

49.77000

XLogP3：

2.66170

Density：

1.15g/cm3

Boiling Point：

463.5ºC at 760mmHg

Flash Point：

234.1ºC

Refractive Index：

1.58

Vapor Pressure：

2.18E-09mmHg at 25°C

Computed Properties

Molecular Weight:329.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:329.19909372
Monoisotopic Mass:329.19909372
Topological Polar Surface Area:49.8
Heavy Atom Count:24
Complexity:462
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hot Searches: fluorene; formula ammonium phosphate; cyclobutane; bioglutide; lead oxide; butanal

Guide of 1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-5-methyl-2-phenylhex-3-enoate

Basic Attributes
Characteristics
Computed Properties
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