2,3-pentanedione

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 11
Total Number of Articles : 7
PubChem 11747
Molecular Formula

C5H8O2

SMILES

CCC(=O)C(=O)C

InChI

InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3

synonyms
  • 2,3-PENTANEDIONE
  • pentane-2,3-dione
  • 600-14-6
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Properties
Property Value
MW 100.12 g/mol
HBD 0
HBA 2
Rotatable Bond Count 2
Exact Mass 100.052429494 g/mol
Monoisotopic Mass 100.052429494 g/mol
Heavy Atom Count 7
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 94.3
xlogp 0.1
Topological Polar Surface Area 34.1