Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030004
Common NameVinyl acetic acid
Systematic Name3-butenoic acid
SynonymsC4:1n-1
Exact Mass
86.0368 (neutral)    Calculate m/z:
FormulaC4H6O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0043
PubChem CID32743
InChIKeyPVEOYINWKBTPIZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
SMILESC=CCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms6Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
90.06Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP0.65Molar
Refractivity
22.45