Structure Database (LMSD)
Common Name
fumarylacetic acid
Systematic Name
4-oxo-2E-hexenedioic acid
Synonyms
3D model of fumarylacetic 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)
SOXXPQLIZIPMIZ-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)/b2-1+
SMILES (Click to copy)
OC(=O)CC(=O)/C=C/C(=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
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Created at
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Updated at
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