Structure Database (LMSD)
Common Name
2E,4Z,6Z,8Z-Decatetraenedioic acid
Systematic Name
2E,4Z,6Z,8Z-Decatetraenedioic acid
Synonyms
LM ID
LMFA01170004
Formula
Exact Mass
Calculate m/z
194.05791
Sum Composition
Status
Active
3D model of 2E,4Z,6Z,8Z-Decatetraenedioic 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)
QHYKVJVPIJCRRT-URDDPPBGSA-N
InChi (Click to copy)
InChI=1S/C10H10O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H,(H,11,12)(H,13,14)/b3-1-,4-2-,7-5-,8-6+
SMILES (Click to copy)
C(/C=C/C=C\C=C/C=C\C(=O)O)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
200.88
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
1.38
Molar Refractivity
51.83
Admin
Created at
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Updated at
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