Structure Database (LMSD)

Common Name
Oxoadipic acid
Systematic Name
2-oxo-hexanedioic acid
Synonyms
LM ID
LMFA01170121
Status
Active
Exact Mass
Calculate m/z
160.037175
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)
FGSBNBBHOZHUBO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
SMILES (Click to copy)
C(=O)(O)C(=O)CCCC(=O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 148.39
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP -0.11
Molar Refractivity 34.13

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Created at
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Updated at
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