Isoquinoline-1,5-Diol

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Properties Simple | Detailed

Formula C9H7NO2
IUPAC Name 5-hydroxy-2h-isoquinolin-1-one
Molecular Mass 161.157 g·mol−1
Heat of Formation -215.1 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 180.37 Å 3
Surface Area 178.88 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry Cs
Synonyms
  • 1(2h)-isoquinolinone, 5-hydroxy-
  • 1,5-dihydroxyisoquinoline
  • 1,5-isoquinolinediol
  • 5-hydroxy-1(2h)-isoquinoline
  • 5-hydroxy-1(2h)-isoquinolinone
  • 5-hydroxy-2h-isoquinolin-1-one
  • 5-hydroxyisocarbostyril
  • parp inhibitor iv, iqd
  • smp2_000192
CAS Number(s)
  • 5154-02-9
InChIKey LFUJIPVWTMGYDG-UHFFFAOYSA-N
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