Methyl Acetoacetate

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Properties Simple | Detailed

Formula C5H8O3
IUPAC Name methyl 3-oxobutanoate
Molecular Mass 116.115 g·mol−1
Heat of Formation -551.5 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 143.0 Å 3
Surface Area 154.3 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy 3.67 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methoxybutane-1,3-dione
  • 3-ketobutyric acid methyl ester
  • 3-oxobutanoic acid methyl ester
  • acetoacetic acid methyl ester
  • acetoacetic acid, methyl ester
  • acetoacetic methyl ester
  • butanoic acid, 3-oxo-, methyl ester
  • methyl 3-oxobutyrate
  • methyl acetylacetate
  • methyl acetylacetonate
  • methylacetoacetate
CAS Number(s)
  • 105-45-3
InChIKey WRQNANDWMGAFTP-UHFFFAOYSA-N
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Elements H C O