Diacetyl

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 125
Total Number of Articles : 118
PubChem 650
Molecular Formula

C4H6O2

SMILES

CC(=O)C(=O)C

InChI

InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3

synonyms
  • 2,3-butanedione
  • diacetyl
  • Butane-2,3-dione
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Properties
Property Value
MW 86.09 g/mol
HBD 0
HBA 2
Rotatable Bond Count 1
Exact Mass 86.036779430 g/mol
Monoisotopic Mass 86.036779430 g/mol
Heavy Atom Count 6
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 71.5
xlogp -1.3
Topological Polar Surface Area 34.1