4-hydroxy-4-pyridin-3-ylbutanal
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4-hydroxy-4-pyridin-3-ylbutanal
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CAS No:
72614-73-4
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Formula:
C9H11NO2
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Chemical Name:
4-hydroxy-4-pyridin-3-ylbutanal
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Synonyms:
4-hydroxy-4-pyridin-3-ylbutanal;72614-73-4;4-hydroxy-4-(pyridin-3-yl)butanal;Butanal, 4-hydroxy-4-pyridin-3-yl-;DTXSID50993473;4-hydroxy-4-(3-pyridyl)-1-butanone;4-Hydroxy-4-(3-pyridinyl)-1-butanone
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CAS No:
Drug Information
4-Hydroxy-4-pyridin-3-ylbutanal is a known thirdhand smoke metabolite of 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone (NNK).
Computed Properties
Molecular Weight:165.19
XLogP3:-0.2
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:139
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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