Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030193
Common NameAcrylic acid (W)
Systematic Name2-propenoic acid
SynonymsC3:1n-1
Exact Mass
72.0211 (neutral)    Calculate m/z:
FormulaC3H4O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0040
PubChem Compound ID (CID)6581
PlantFA ID10012
InChIKeyNIXOWILDQLNWCW-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
SMILESC=CC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms5Rings0Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
72.76Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP0.26Molar
Refractivity
17.83    
logo LIPID MAPS is funded by a Wellcome Trust.