(6Z)-6-(6-Methyl-5-Oxo-5,6-Dihydro-11H-Pyrido[4,3-C][1]Benzazepin-11-Ylidene)Hexanoic Acid

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Properties Simple | Detailed

Formula C20H20N2O3
IUPAC Name (6z)-6-(6-methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
Molecular Mass 336.384 g·mol−1
Heat of Formation -328.3 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 408.19 Å 3
Surface Area 335.98 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (6z)-6-(5-keto-6-methyl-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
  • (6z)-6-(6-methyl-5-oxo-11-pyrido[4,3-c][1]benzazepinylidene)hexanoic acid
  • (6z)-6-(6-methyl-5-oxo-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
  • (z)-11-(5-carboxypentylidene)-6-methyl-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6h)-one
  • (z)-6-(5,6-dihydro-6-methyl-5-oxo-11h-pyrido(4,3-c)(1)benzazepin-11-ylidene)hexanoic acid
  • hexanoic acid, 6-(5,6-dihydro-6-methyl-5-oxo-11h-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, (z)-
  • kf 13218
CAS Number(s)
  • 127654-03-9
InChIKey QFZVHDITZGTVJH-AUWJEWJLSA-N
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