2-(ALLYLTHIO)NICOTINIC ACID
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2-(ALLYLTHIO)NICOTINIC ACID
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CAS No:
175135-25-8
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Formula:
C9H9NO2S
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Chemical Name:
2-(ALLYLTHIO)NICOTINIC ACID
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Synonyms:
2-(ALLYLTHIO)NICOTINIC ACID;LABOTEST-BB LT00453657;2-(Allylmercapto)nicotinicacid;2-(Allylthio)pyridine-3-carboxylicacid
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CAS No:
Computed Properties
Molecular Weight:195.24
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:195.03539970
Monoisotopic Mass:195.03539970
Topological Polar Surface Area:75.5
Heavy Atom Count:13
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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