1-(3,4-Dihydroxybenzyl)-7-Hydroxy-6(2H)-Isoquinolinone

Molecule SVG Image

Properties Simple | Detailed

Formula C16H13NO4
IUPAC Name 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2h-isoquinolin-6-one
Molecular Mass 283.279 g·mol−1
Heat of Formation -419.6 ± 16.7 kJ·mol−1
Dipole Moment 11.06 ± 1.08 D
Volume 318.54 Å 3
Surface Area 288.22 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3,4-dihydroxybenzyl)-6,7-isoquinolinediol
  • 1-(3,4-dihydroxybenzyl)-7-hydroxy-2h-isoquinolin-6-one
  • 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2h-isoquinolin-6-one
  • 6,7-isoquinolinediol, 1-[(3,4-dihydroxyphenyl)methyl]-
  • papaveroline
  • papaveroline [ban:inn]
InChIKey HGZKLOLFPCXWBE-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N