N-[(4-Hydroxy-8-Iodo-3-Isoquinolinyl)Carbonyl]Glycine

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Properties Simple | Detailed

Formula C12H9IN2O4
IUPAC Name 2-[(4-hydroxy-8-iodo-isoquinoline-3-carbonyl)amino]acetic acid
Molecular Mass 372.115 g·mol−1
Heat of Formation -350.8 ± 16.7 kJ·mol−1
Dipole Moment 9.98 ± 1.08 D
Volume 307.12 Å 3
Surface Area 284.98 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4-hydroxy-8-iodo-isoquinolin-3-yl)carbonylamino]ethanoic acid
  • 2-[(4-hydroxy-8-iodoisoquinoline-3-carbonyl)amino]acetic acid
  • 2-[[(4-hydroxy-8-iodo-3-isoquinolyl)-oxomethyl]amino]acetic acid
  • 4hg
  • n-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine
InChIKey FUMNLXHPILGSLC-UHFFFAOYSA-N
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