Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170118
Common NameMethylmalonic acid
Systematic Name2-methyl-propanedioic acid
Synonyms-
Exact Mass
118.0266 (neutral)    Calculate m/z:
FormulaC4H6O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
PubChem Compound ID (CID)487
HMDB IDHMDB00202
InChIKeyZIYVHBGGAOATLY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
SMILESC(=O)(O)C(C)C(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
107.64Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP-0.21Molar
Refractivity
24.44