Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170009
Common NameDodecanedioic acid
Systematic NameDodecanedioic acid
Synonyms-
Exact Mass
230.1518 (neutral)    Calculate m/z:
FormulaC12H22O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID1817
PubChem CID12736
KEGG IDC02678
HMDB IDHMDB0000623
CHEBI ID4676
SWISSLIPIDS IDSLM:000000717
InChIKeyTVIDDXQYHWJXFK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15
,16)
SMILESC(CCCCCCCCCCC(=O)O)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
246.04Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP3.06Molar
Refractivity
61.44