Structure Database (LMSD)
Common Name
2E,4E,6E,8E-Decatetraenedioic acid
Systematic Name
2E,4E,6E,8E-Decatetraenedioic acid
Synonyms
LM ID
LMFA01170005
Formula
Exact Mass
Calculate m/z
194.05791
Sum Composition
Status
Active
3D model of 2E,4E,6E,8E-Decatetraenedioic 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)
QHYKVJVPIJCRRT-QEQQUMNJSA-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
Other Databases
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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