3-Hydroxyquinine
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3-Hydroxyquinine
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CAS No:
78549-61-8
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Formula:
C20H24N2O3
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Chemical Name:
3-Hydroxyquinine
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Synonyms:
Cinchonan-3,9-diol,6′-methoxy-,(8α,9R)-;(8α,9R)-6′-Methoxycinchonan-3,9-diol;3-Hydroxyquinine;(3S)-Hydroxyquinine;(3S)-3-Hydroxyquinine;(-)-(3S)-3-Hydroxyquinine
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CAS No:
Description
3-hydroxyquinine is a cinchona alkaloid. It derives from a quinine and a quinine(1+). It is a conjugate base of a 3-hydroxyquininium.
Characteristics
65.82000
2.22600
1.29g/cm3
148-150 °C
534.3ºC at 760 mmHg
276.9ºC
1.66
-20ºC Freezer
Computed Properties
Molecular Weight:340.4
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:340.17869263
Monoisotopic Mass:340.17869263
Topological Polar Surface Area:65.8
Heavy Atom Count:25
Complexity:501
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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