Structure Database (LMSD)
Common Name
4-oxo-2E-Hexenal
Systematic Name
4-oxo-2E-Hexenal
Synonyms
3D model of 4-oxo-2E-Hexenal
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)
GVKYFODEMNCLGS-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C6H8O2/c1-2-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+
SMILES (Click to copy)
C(/C=C/C(=O)CC)(=O)[H]
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
122.02
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
0.72
Molar Refractivity
30.50
Admin
Created at
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Updated at
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