Structure Database (LMSD)
Common Name
2E,4E,8E,10E-Dodecatetraenedioic acid
Systematic Name
2E,4E,8E,10E-Dodecatetraenedioic acid
Synonyms
LM ID
LMFA01170008
Formula
Exact Mass
Calculate m/z
222.08921
Sum Composition
Status
Active
3D model of 2E,4E,8E,10E-Dodecatetraenedioic 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)
SXPCMUCUZSVRMB-MIIZMDLZSA-N
InChi (Click to copy)
InChI=1S/C12H14O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h3-10H,1-2H2,(H,13,14)(H,15,16)/b5-3+,6-4+,9-7+,10-8+
SMILES (Click to copy)
C(/C=C/C=C/CC/C=C/C=C/C(=O)O)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
235.48
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
2.16
Molar Refractivity
61.07
Admin
Created at
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Updated at
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