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2-Thiopheneaceticacid,α-hydroxy-α-2-thienyl-,(3R)-1-azabicyclo[2.2.2]oct-3-ylester

2-Thiopheneaceticacid,α-hydroxy-α-2-thienyl-,(3R)-1-azabicyclo[2.2.2]oct-3-ylester structure

CAS No:
320347-97-5
Formula:
C17H19NO3S2
Chemical Name:
2-Thiopheneaceticacid,α-hydroxy-α-2-thienyl-,(3R)-1-azabicyclo[2.2.2]oct-3-ylester
Synonyms:
2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester;(R)-Quinucldin-3-yl hydroxybis(2-thienyl)acetate;2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester-5;GYDFTKNRHZMENP-ZDUSSCGKSA-N;Aclidinium Bromide Impurity 5;Tiotropium Bromide Impurity 2;(R)-quinuclidin-3-yl 2-hydroxy-2,2-di(thiophen-2-yl)acetate

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2-Thiopheneaceticacid,α-hydroxy-α-2-thienyl-,(3R)-1-azabicyclo[2.2.2]oct-3-ylester Basic Attributes

Molecular Weight：

349.46

Exact Mass：

349.08063582

Characteristics

PSA：

106.25000

XLogP3：

2.62080

Density：

1.40±0.1 g/cm3

Melting Point：

180℃ (isopropyl ether )

Boiling Point：

513.3±50.0 °C(Predicted)

PKA：

10.33±0.29

Computed Properties

Molecular Weight:349.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:349.08063582
Monoisotopic Mass:349.08063582
Topological Polar Surface Area:106
Heavy Atom Count:23
Complexity:437
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Thiopheneaceticacid,α-hydroxy-α-2-thienyl-,(3R)-1-azabicyclo[2.2.2]oct-3-ylester

Basic Attributes
Characteristics
Computed Properties

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