Structure Database (LMSD)

Common Name
Undecanedioic acid
Systematic Name
Undecanedioic acid
Synonyms
  • Undecandioic acid
  • 1,11-Undecanedioic acid
LM ID
LMFA01170007
Formula
Exact Mass
Calculate m/z
216.13616
Sum Composition
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
LWBHHRRTOZQPDM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
SMILES (Click to copy)
C(CCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
6867
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 228.74
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.67
Molar Refractivity 56.82

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Created at
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Updated at
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