Structure database (LMSD)

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LM IDLMFA01170054
Common NameAzelaic acid (W)
Systematic NameNonanedioic acid
Synonyms-
Exact Mass
188.1049 (neutral)    Calculate m/z:
FormulaC9H16O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID1819
PubChem Compound ID (CID)2266
KEGG IDC08261
HMDB IDHMDB00784
CHEBI ID48131
PlantFA ID10741
InChIKeyBDJRBEYXGGNYIS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
SMILESC(CCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
194.14Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP1.89Molar
Refractivity
47.59