Dimethylacetylacetone

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Properties Simple | Detailed

Formula C7H12O2
IUPAC Name 5-methylhexane-2,4-dione
Molecular Mass 128.169 g·mol−1
Heat of Formation -442.4 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 176.11 Å 3
Surface Area 172.38 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 5-methyl-2,4-hexanedione
  • 5-methyl-2,4-hexanedione (enol)
  • 5-methylhexane-2,4-dione, keto form
CAS Number(s)
  • 7307-03-1
InChIKey KHZGUWAFFHXZLC-UHFFFAOYSA-N
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