Structure Database (LMSD)
Common Name
4-hydroxynonenal
Systematic Name
4-hydroxy-2E-nonenal
Synonyms
- 4-HNE
3D model of 4-hydroxynonenal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
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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Updated at
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