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acetoacetic acid
Weight102.089 g/mol
FormulaC4H6O3
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings0
Rotatable Bonds2

acetoacetic acid (541-50-4)

acetoacetate  ·  oxobutyrate  ·  3-oxobutyric acid

Score: #913 in Biochemistry , #2413 in Biology , #3004 in Chemistry
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Alternate Names

  • acetoacetate
  • oxobutyrate
  • 3-oxobutyric acid
  • acetoacetic acid, lithium salt
  • acetoacetic acid, calcium salt
  • acetoacetic acid, sodium salt
  • 3-ketobutyrate
  • SMILES
    CC(=O)CC(=O)O
  • InChIKey
    WDJHALXBUFZDSR-UHFFFAOYSA-N

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Synthesis

3-hydroxybutyric acid  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Acetonitrile  +  chloroacetic acid (Grignard carbonyl)
Synthesis of acetoacetic acid ›

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