acetoacetic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 140
Total Number of Articles : 159
PubChem 96
Molecular Formula

C4H6O3

SMILES

CC(=O)CC(=O)O

InChI

InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)

synonyms
  • acetoacetic acid
  • 3-oxobutanoic acid
  • 541-50-4
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Properties
Property Value
MW 102.09 g/mol
HBD 1
HBA 3
Rotatable Bond Count 2
Exact Mass 102.031694049 g/mol
Monoisotopic Mass 102.031694049 g/mol
Heavy Atom Count 7
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 95.1
xlogp -0.4
Topological Polar Surface Area 54.4