Structure Database (LMSD)
Common Name
Glutaconic acid
Systematic Name
2E-pentenedioic acid
Synonyms
3D model of Glutaconic 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)
XVOUMQNXTGKGMA-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
SMILES (Click to copy)
C(=O)(O)/C=C/CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
122.30
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.10
Molar Refractivity
29.03
Admin
Created at
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Updated at
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