4-Acetyl-Isocoumarin

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Properties Simple | Detailed

Formula C11H9O3+
IUPAC Name 4-acetylisochromen-1-one
Molecular Mass 189.187 g·mol−1
Heat of Formation -336.0 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 211.59 Å 3
Surface Area 203.89 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-2-benzopyran-1-one, 4-acetyl-
  • 4-acetyl-1-isochromenone
  • 4-acetyl-1h-2-benzopyran-1-one
  • 4-acetyl-1h-isochromen-1-one
  • 4-acetylisocoumarin
  • 4-ethanoylisochromen-1-one
CAS Number(s)
  • 16385-16-3
InChIKey CDKQBDUTSTYSQN-UHFFFAOYSA-N
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