(6,7-Dihydroxy-3,4-Dihydro-2-Isoquinoliniumyl)Acetate

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Properties Simple | Detailed

Formula C11H13NO4
IUPAC Name carbon dioxide; 2-methanidyl-3,4-dihydro-1h-isoquinolin-1-ide-6,7-diol
Molecular Mass 223.225 g·mol−1
Heat of Formation -530.3 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 263.7 Å 3
Surface Area 236.25 Å 2
HOMO Energy -7.59 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-2-yl)ethanoate
  • 2-carb me-diq
  • 2-carboxymethyl-6,7-dihydroxy-3,4-dihydroisoquinolinium
CAS Number(s)
  • 68351-63-3
InChIKey ARAGDSLBYBYLRH-UHFFFAOYSA-N
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