Structure Database (LMSD)
Common Name
C11354
Systematic Name
(2E,4Z)-2-hydroxyhexa-2,4-dienoic acid
Synonyms
- 2-Hydroxy-cis-hex-2,4-dienoate
- AKOS006374931
3D model of C11354
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VPGPQVKJUYKKNN-AWYLAFAOSA-N
InChi (Click to copy)
InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4+
SMILES (Click to copy)
O/C(/C(=O)O)=C/C=C\C
References
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
130.81
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
1.09
Molar Refractivity
33.16
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Created at
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Updated at
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