Structure Database (LMSD)

Common Name
2-hydroxy-3-oxoadipic acid
Systematic Name
2-hydroxy-3-oxohexanedioic acid
Synonyms
LM ID
LMFA01050479
Formula
Exact Mass
Calculate m/z
176.03209
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
DVIFFQAOYQDXGL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)
SMILES (Click to copy)
C(=O)(O)C(O)C(=O)CCC(=O)O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 157.18
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP -0.85
Molar Refractivity 36.03

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Created at
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Updated at
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