3-Methoxy-11-Methyldibenzo[B,F][1,4]Oxazepine-8-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H13NO4
IUPAC Name 9-methoxy-6-methyl-benzo[b][1,4]benzoxazepine-3-carboxylic acid
Molecular Mass 283.279 g·mol−1
Heat of Formation -408.9 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 318.04 Å 3
Surface Area 293.58 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate
  • 9-methoxy-6-methyl-3-benzo[b][1,5]benzoxazepinecarboxylic acid
  • 9-methoxy-6-methyl-benzo[b][1,5]benzoxazepine-3-carboxylic acid
  • 9-methoxy-6-methylbenzo[b][1,5]benzoxazepine-3-carboxylic acid
  • by 1949
  • by-1949
  • dibenz(b,f)(1,4)oxazepine-8-carboxylic acid, 3-methoxy-11-methyl-
CAS Number(s)
  • 90158-59-1
InChIKey JTZGDJSJVQONAV-UHFFFAOYSA-N
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