Structure Database (LMSD)

Common Name
2-oxo-4-hydroxy-hexanoic acid
Systematic Name
2-oxo-4-hydroxy-hexanoic acid
Synonyms
  • 4-Hydroxy-2-oxohexanoic acid
LM ID
LMFA01050343
Status
Active
Exact Mass
Calculate m/z
146.05791
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ALFQPWXBAWHVDP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)
SMILES (Click to copy)
OC(=O)C(=O)CC(O)CC

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 142.24
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 0.09
Molar Refractivity 34.07

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Updated at
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