Structure Database (LMSD)
Common Name
dihydroxy-fumaric acid
Systematic Name
2-oxo-3,4,4-trihydroxy-3E-butenoic acid
Synonyms
3D model of dihydroxy-fumaric 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)
KAPRQAPANAEVOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5,7-8H,(H,9,10)
SMILES (Click to copy)
C(=O)(O)C(=O)/C(/O)=C(\O)/O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
122.58
Topological Polar Surface Area
115.06
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
-0.52
Molar Refractivity
27.56
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Created at
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Updated at
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