Structure Database (LMSD)

Common Name
2-Hydroxy-4-oxopentanoic acid
Systematic Name
2-hydroxy-4-oxopentanoic acid
Synonyms
LM ID
LMFA01050482
Formula
Exact Mass
Calculate m/z
132.04226
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
QTSNVMMGKAPSRT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h4,7H,2H2,1H3,(H,8,9)
SMILES (Click to copy)
O=C(C(CC(=O)C)O)O

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
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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