Structure Database (LMSD)
Common Name
2methyl-3-ketovaleric acid
Systematic Name
2-methyl-3-oxo-pentanoic acid
Synonyms
3D model of 2methyl-3-ketovaleric 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)
GCXJINGJZAOJHR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)
SMILES (Click to copy)
C(=O)(O)C(C)C(=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
116.15
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
0.30
Molar Refractivity
27.48
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Created at
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Updated at
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