(1R)-6,7-Dihydroxy-1-Methyl-1,2,3,4-Tetrahydro-1-Isoquinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C11H13NO4
IUPAC Name (1r)-6,7-dihydroxy-1-methyl-3,4-dihydro-2h-isoquinoline-1-carboxylic acid
Molecular Mass 223.225 g·mol−1
Heat of Formation -665.4 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 251.41 Å 3
Surface Area 228.9 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-6,7-dihydroxy-1-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate
InChIKey XHGLVMDBZZZXDP-LLVKDONJSA-N
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