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
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
Other Databases
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
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Created at
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Updated at
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