Structure Database (LMSD)
Common Name
2E-methyl-glutaconic acid
Systematic Name
2-methyl-2E-pentenedioic acid
Synonyms
3D model of 2E-methyl-glutaconic 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)
JKGHDBJDBRBRNA-DUXPYHPUSA-N
InChi (Click to copy)
InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
SMILES (Click to copy)
C(=O)(O)/C(/C)=C/CC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
139.60
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.49
Molar Refractivity
33.65
Admin
Created at
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Updated at
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