4-Hydroxy-4-(3-pyridyl)butyric acid
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4-Hydroxy-4-(3-pyridyl)butyric acid
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CAS No:
15569-97-8
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Formula:
C9H11NO3
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Chemical Name:
4-Hydroxy-4-(3-pyridyl)butyric acid
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Synonyms:
3-Pyridinebutanoic acid,γ-hydroxy-;3-Pyridinebutyric acid,γ-hydroxy-;γ-Hydroxy-3-pyridinebutanoic acid;γ-(3-Pyridyl)-γ-hydroxybutyric acid;4-(3-Pyridyl)-4-hydroxybutyric acid;4-Hydroxy-4-(3-pyridyl)butyric acid;17270-46-1
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CAS No:
Drug Information
4-hydroxy-4-(3-pyridyl)-butanoic acid (HPBA) is a known thirdhand smoke metabolite of 4-(Methylnitrosamino)-4-(3-pyridyl)butanal (NNA), 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone (NNK), N'-Nitrosonornicotine (NNN), and Nicotine.
4-HOPC4A
Computed Properties
Molecular Weight:181.19
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:181.07389321
Monoisotopic Mass:181.07389321
Topological Polar Surface Area:70.4
Heavy Atom Count:13
Complexity:172
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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