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
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
Other Databases
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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