Structure Database (LMSD)

Common Name
xi-3-Hydroxy-2-oxobutanoic acid
Systematic Name
3-hydroxy-2-oxobutanoic acid
Synonyms
LM ID
LMFA01050528
Formula
Exact Mass
Calculate m/z
118.02661
Sum Composition
Status
Active

Main

Classification

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

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

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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