Structure Database (LMSD)

Common Name
4-hydroxynonenal
Systematic Name
4-hydroxy-2E-nonenal
Synonyms
  • 4-HNE
LM ID
LMFA06000051
Formula
Exact Mass
Calculate m/z
156.11503
Sum Composition
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
JVJFIQYAHPMBBX-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+
SMILES (Click to copy)
C(CCCC(O)/C=C/C([H])=O)C

References

Other Databases

Wikipedia
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
GuidePharm ID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 176.56
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.97
Molar Refractivity 45.86

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Created at
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Updated at
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