4-Hydroxy-1-(3-pyridyl)-1-butanone
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4-Hydroxy-1-(3-pyridyl)-1-butanone
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CAS No:
59578-62-0
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Formula:
C9H11NO2
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Chemical Name:
4-Hydroxy-1-(3-pyridyl)-1-butanone
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Synonyms:
1-Butanone,4-hydroxy-1-(3-pyridinyl)-;4-Hydroxy-1-(3-pyridinyl)-1-butanone;4-Hydroxy-1-(3-pyridyl)-1-butanone;4-Oxo-4-(3-pyridyl)-1-butanol
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CAS No:
Drug Information
4-Hydroxy-1-(3-pyridyl)-1-butanone (HPB) is a known thirdhand smoke metabolite of 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone (NNK) and N'-Nitrosonornicotine (NNN).
4-HPB
Computed Properties
Molecular Weight:165.19
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:165.078978594
Monoisotopic Mass:165.078978594
Topological Polar Surface Area:50.2
Heavy Atom Count:12
Complexity:148
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 4-Hydroxy-1-(3-pyridyl)-1-butanone
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