4-ethynyl-1,2-dimethyl-1-oxido-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-ium-4-ol
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4-ethynyl-1,2-dimethyl-1-oxido-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-ium-4-ol
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CAS No:
62299-69-8
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Formula:
C13H21NO2
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Chemical Name:
4-ethynyl-1,2-dimethyl-1-oxido-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-ium-4-ol
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Synonyms:
4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide;62299-69-8;DTXSID40339149;MB69333;4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide #;4(axial)-Ethynyl-1,2(equatorial)-dimethyl-trans-decahydroquinol-4-ol,N-oxide
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CAS No:
4-ethynyl-1,2-dimethyl-1-oxido-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-ium-4-ol Basic Attributes
223.31 g/mol
223.157228913 g/mol
DTXSID40339149
Computed Properties
Molecular Weight:223.31
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:223.157228913
Monoisotopic Mass:223.157228913
Topological Polar Surface Area:38.3
Heavy Atom Count:16
Complexity:334
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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