Mimosamycin

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Properties Simple | Detailed

Formula C12H11NO4
IUPAC Name 7-methoxy-2,6-dimethyl-isoquinoline-3,5,8-trione
Molecular Mass 233.220 g·mol−1
Heat of Formation -477.4 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 259.2 Å 3
Surface Area 242.9 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5,8(2h)-isoquinolinetrione, 2,6-dimethyl-7-methoxy-
  • 3,5,8(2h)-isoquinolinetrione, 7-methoxy-2,6-dimethyl-
  • 7-methoxy-2,6-dimethyl-3,5,8(2h)-isoquinolinetrione
  • 7-methoxy-2,6-dimethylisoquinoline-3,5,8-trione
CAS Number(s)
  • 59493-94-6
InChIKey BXQZTMMXFKFJIY-UHFFFAOYSA-N
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