(3R)-3,5-Dihydroxy-1-Methyl-3H-Indolium-6-Olate

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Properties Simple | Detailed

Formula C9H11NO3
IUPAC Name (3r)-3,5-dihydroxy-1-methyl-2,3-dihydroindole-2,3a-diid-6-one
Molecular Mass 181.189 g·mol−1
Heat of Formation -198.1 ± 16.7 kJ·mol−1
Dipole Moment 12.28 ± 1.08 D
Volume 202.76 Å 3
Surface Area 197.51 Å 2
HOMO Energy -7.28 ± 0.55 eV
LUMO Energy -1.91 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3,5-dihydroxy-1-methyl-3h-indol-1-ium-6-olate
  • 3h-indolium, 3,5,6-trihydroxy-1-methyl-, hydroxide, inner salt, (r)-
  • epdeatpasein
  • epinephrine derived atpase inhibitor
CAS Number(s)
  • 77097-83-7
InChIKey SQGALJXRAIKYRO-VIFPVBQESA-N
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