Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA12000057
Common NamePropan-2-one
Systematic NamePropan-2-one
Synonyms-
Exact Mass
58.0419 (neutral)    Calculate m/z:
FormulaC3H6O
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID180
HMDB IDHMDB0001659
InChIKeyCSCPPACGZOOCGX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C3H6O/c1-3(2)4/h1-2H3
SMILESCC(=O)C
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms4Rings0Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
66.61Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP0.60Molar
Refractivity
16.36