Structure Database (LMSD)
Common Name
4E-Decenedioic acid
Systematic Name
4E-Decenedioic acid
Synonyms
LM ID
LMFA01170044
Formula
Exact Mass
Calculate m/z
200.10486
Sum Composition
Status
Active
3D model of 4E-Decenedioic 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)
CXGDCGIPEJKSCK-HNQUOIGGSA-N
InChi (Click to copy)
InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1,3H,2,4-8H2,(H,11,12)(H,13,14)/b3-1+
SMILES (Click to copy)
C(CC/C=C/CCCCC(=O)O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
208.80
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
2.05
Molar Refractivity
52.11
Admin
Created at
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Updated at
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