Structure Database (LMSD)
Common Name
xi-3-Hydroxy-2-oxobutanoic acid
Systematic Name
3-hydroxy-2-oxobutanoic acid
Synonyms
3D model of xi-3-Hydroxy-2-oxobutanoic 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)
QWZIITCYKKSZGN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H6O4/c1-2(5)3(6)4(7)8/h2,5H,1H3,(H,7,8)
SMILES (Click to copy)
C(C(=O)O)(C(C)O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
107.64
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
-0.69
Molar Refractivity
24.84
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Created at
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Updated at
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