Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050037
Common Nameβ-hydroxylauric acid
Systematic Name3-hydroxy-dodecanoic acid
Synonyms-
Exact Mass
216.1725 (neutral)    Calculate m/z:
FormulaC12H24O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDBANK IDDFA0303
PubChem CID94216
HMDB IDHMDB0000387
CHEBI ID36206
InChIKeyMUCMKTPAZLSKTL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,
15)
SMILESC(O)(CCCCCCCCC)CC(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
239.89Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP3.25Molar
Refractivity
61.38