Structure Database (LMSD)
Common Name
Maleylacetoacetic acid
Systematic Name
4,6-dioxo-2Z-octenedioic acid
Synonyms
3D model of Maleylacetoacetic acid
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)
GACSIVHAIFQKTC-UPHRSURJSA-N
InChi (Click to copy)
InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1-
SMILES (Click to copy)
C(=O)(O)/C=C\C(=O)CC(=O)CC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
186.50
Topological Polar Surface Area
108.74
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
-0.37
Molar Refractivity
43.66
Admin
Created at
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Updated at
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