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
Classification
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
Other Databases
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
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Created at
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Updated at
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