Structure Database (LMSD)

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



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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

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

Admin

Created at
-
Updated at
-