Structure Database (LMSD)
Common Name
3-hydroxy-3-methyl-2-oxo-butanoic acid
Systematic Name
3-hydroxy-3-methyl-2-oxo-butanoic acid
Synonyms
3D model of 3-hydroxy-3-methyl-2-oxo-butanoic 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)
DNOPJXBPONYBLB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8)
SMILES (Click to copy)
C(=O)(C(=O)O)C(O)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
124.94
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
-0.30
Molar Refractivity
29.45
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Created at
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Updated at
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