(6S,9E)-6-Methyl-4-Oxo-9-(Phenylhydrazono)-6,7,8,9-Tetrahydro-4H-Pyrido[1,2-A]Pyrimidine-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H16N4O3+
IUPAC Name (6s,9e)-6-methyl-4-oxo-9-(phenylhydrazono)-7,8-dihydro-6h-pyrido[1,2-a]pyrimidine-3-carboxylic acid
Molecular Mass 312.323 g·mol−1
Heat of Formation -199.4 ± 16.7 kJ·mol−1
Dipole Moment 7.97 ± 1.08 D
Volume 357.44 Å 3
Surface Area 323.61 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,9e)-4-keto-6-methyl-9-(phenylhydrazono)-7,8-dihydro-6h-pyrido[1,2-a]pyrimidine-3-carboxylic acid
  • (6s,9e)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6h-pyrido[1,2-a]pyrimidine-3-carboxylic acid
  • (6s,9e)-6-methyl-4-oxo-9-(phenylhydrazono)-7,8-dihydro-6h-pyrido[1,2-a]pyrimidine-3-carboxylic acid
  • 4h-pyrido(1,2-a)pyrimidine-3-carboxylic acid, 6,7,8,9-tetrahydro-6-methyl-4-oxo-9-(phenylhydrazono)-, (s)-
  • 6,(5)-methyl-4-oxo-9-phenylhydrazono-6,7,8,9-tetrahydro-4h-pyrido(1,2-a)pyrimidine-3-carboxylic acid
  • chinoin 1045
  • ucb l140
CAS Number(s)
  • 70999-42-7
InChIKey ZEKGTEVPPLLXID-AUXBAGKGSA-N
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