2-(3-hydroxypyridin-1-ium-1-yl)butanoic acid
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2-(3-hydroxypyridin-1-ium-1-yl)butanoic acid
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CAS No:
139693-82-6
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Formula:
C9H12NO3+
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Chemical Name:
2-(3-hydroxypyridin-1-ium-1-yl)butanoic acid
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Synonyms:
139693-82-6;2-(3-hydroxypyridin-1-ium-1-yl)butanoic acid;DTXSID60930556;1-(1-Carboxypropyl)-3-hydroxypyridin-1-ium;3-Hydroxy-1-(1-carboxypropyl)pyridin-1-ium
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CAS No:
Computed Properties
Molecular Weight:182.20
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.08171824
Monoisotopic Mass:182.08171824
Topological Polar Surface Area:61.4
Heavy Atom Count:13
Formal Charge:1
Complexity:184
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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