2-Hydroxy-1,3(2H,4H)-Isoquinolinedione

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Properties Simple | Detailed

Formula C9H7NO3
IUPAC Name 2-hydroxy-4h-isoquinoline-1,3-dione
Molecular Mass 177.157 g·mol−1
Heat of Formation -270.2 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 192.55 Å 3
Surface Area 188.72 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3(2h,4h)-isoquinolinedione, 2-hydroxy-
  • 2-hydroxy-4h-isoquinoline-1,3-dione
  • 2-hydroxy-4h-isoquinoline-1,3-quinone
InChIKey ZXAICCBFIBBVAR-UHFFFAOYSA-N
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