Structure Database (LMSD)
Common Name
(Z)-5-oxohex-2-enedioic acid
Systematic Name
5-oxo-2Z-hexenedioic acid
Synonyms
3D model of (Z)-5-oxohex-2-enedioic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
OOEDHTCVMHDXRH-IWQZZHSRSA-N
InChi (Click to copy)
InChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1,3H,2H2,(H,8,9)(H,10,11)/b3-1-
SMILES (Click to copy)
C(/C=C\CC(=O)C(=O)O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
145.75
Topological Polar Surface Area
91.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
-0.33
Molar Refractivity
34.04
Admin
Created at
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Updated at
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