Structure Database (LMSD)
Common Name
6-hydroxy-2,4-hexadienal
Systematic Name
6-hydroxy-2,4-hexadienal
Synonyms
3D model of 6-hydroxy-2,4-hexadienal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
PCYZGEHNECVSCF-ZPUQHVIOSA-N
InChi (Click to copy)
InChI=1S/C6H8O2/c7-5-3-1-2-4-6-8/h1-5,8H,6H2/b3-1+,4-2+
SMILES (Click to copy)
C(O)/C=C/C=C/C([H])=O
Other Databases
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
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.57
Molar Refractivity
31.92
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Created at
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Updated at
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