Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170041
Common NameMalonic acid (W)
Systematic NamePropanedioic acid
Synonyms-
Exact Mass
104.0110 (neutral)    Calculate m/z:
FormulaC3H4O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID8333
PubChem CID867
KEGG IDC00383
HMDB IDHMDB0000691
CHEBI ID30794
PlantFA ID10236
SWISSLIPIDS IDSLM:000000866
InChIKeyOFOBLEOULBTSOW-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
SMILESC(CC(=O)O)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
90.34Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP-0.45Molar
Refractivity
19.89