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3-Oxo-2-quinuclidinecarboxylicacidethylester

3-Oxo-2-quinuclidinecarboxylicacidethylester structure

CAS No:
34286-16-3
Formula:
C10H15NO3
Chemical Name:
3-Oxo-2-quinuclidinecarboxylicacidethylester
Synonyms:
3-Oxo-2-quinuclidinecarboxylic acid ethyl ester;Ethyl 3-oxoquinuclidine-2-carboxylate;2-Quinuclidinecarboxylic acid, 3-oxo-, ethyl ester;3-ketoquinuclidine-2-carboxylic acid ethyl ester;ethyl 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate;Ethyl 3-oxo-2-quinuclidinecarboxylate;ethyl 8-oxo-1-azabicyclo[2.2.2]octane-7-carboxylate;1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 3-oxo-, ethyl ester

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3-Oxo-2-quinuclidinecarboxylicacidethylester Basic Attributes

Molecular Weight：

197.23

Exact Mass：

197.10519334 g/mol

DSSTox ID：

DTXSID90329131

Characteristics

PSA：

46.6 Å²

Density：

1.19±0.1 g/cm3

Melting Point：

109-110 °C

Boiling Point：

98-103 °C(Press: 0.02 Torr)

PKA：

16.31±0.20

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:197.23
XLogP3:0.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:197.10519334
Monoisotopic Mass:197.10519334
Topological Polar Surface Area:46.6
Heavy Atom Count:14
Complexity:256
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Oxo-2-quinuclidinecarboxylicacidethylester

Basic Attributes
Characteristics
Safety Information
Computed Properties

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