(3S)-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C10H11NO2
IUPAC Name (3s)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
Molecular Mass 177.200 g·mol−1
Heat of Formation -283.6 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 211.41 Å 3
Surface Area 203.32 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
  • (s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
  • l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CAS Number(s)
  • 74163-81-8
InChIKey BWKMGYQJPOAASG-VIFPVBQESA-N
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