Structure Database (LMSD)

Common Name
Azelaic acid
Systematic Name
Nonanedioic acid
Synonyms
LM ID
LMFA01170054
Status
Active
Exact Mass
Calculate m/z
188.10486
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)
BDJRBEYXGGNYIS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
SMILES (Click to copy)
C(CCCCCCCC(=O)O)(=O)O

References

Other Databases

Wikipedia
LIPIDAT ID
1819
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 194.14
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 1.89
Molar Refractivity 47.59

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Created at
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Updated at
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