Isoquinoline-1,3,4-Trione

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Properties Simple | Detailed

Formula C9H5NO3
IUPAC Name isoquinoline-1,3,4-trione
Molecular Mass 175.141 g·mol−1
Heat of Formation -323.4 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 185.11 Å 3
Surface Area 182.82 Å 2
HOMO Energy -10.59 ± 0.55 eV
LUMO Energy 1.10 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3,4(2h)-isoquinolinetrione
  • 1,3,4-(2h)isoquinolinetrione
  • phthalonimide
CAS Number(s)
  • 521-73-3
InChIKey YIOFGHHAURBGSJ-UHFFFAOYSA-N
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