2,5-hexanedione

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 49
Total Number of Articles : 61
PubChem 8035
Molecular Formula

C6H10O2

SMILES

CC(=O)CCC(=O)C

InChI

InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3

synonyms
  • 2,5-HEXANEDIONE
  • Acetonylacetone
  • Hexane-2,5-dione
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Properties
Property Value
MW 114.14 g/mol
HBD 0
HBA 2
Rotatable Bond Count 3
Exact Mass 114.068079557 g/mol
Monoisotopic Mass 114.068079557 g/mol
Heavy Atom Count 8
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 91.1
xlogp -0.3
Topological Polar Surface Area 34.1