Structure Database (LMSD)
Common Name
2-methylene-4-oxo-pentanedioic acid
Systematic Name
2-methylene-4-oxo-pentanedioic acid
Synonyms
3D model of 2-methylene-4-oxo-pentanedioic 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)
OARCEFMISOKEKI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11)
SMILES (Click to copy)
C(C(=C)CC(=O)C(=O)O)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
145.75
Topological Polar Surface Area
91.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
-0.33
Molar Refractivity
34.04
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Created at
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Updated at
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