2-Amino-6-[2-(4-Oxo-2,5-Cyclohexadien-1-Ylidene)Hydrazino]-4(1H)-Pyrimidinone

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Formula C10H9N5O2
IUPAC Name 2-amino-6-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]pyrimidin-1-ium-3-id-4-one
Molecular Mass 231.211 g·mol−1
Heat of Formation 140.1 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 255.51 Å 3
Surface Area 251.4 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -2.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-6-((4-hydroxyphenyl)azo)-4(1h)-pyrimidinone
  • 2-amino-6-[n'-(4-keto-1-cyclohexa-2,5-dienylidene)hydrazino]-1h-pyrimidin-4-one
  • 2-amino-6-[n'-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazino]-1h-pyrimidin-4-one
  • 4(1h)-pyrimidinone, 2-amino-6-((4-hydroxyphenyl)azo)- (9ci)
  • 4(1h)-pyrimidinone, 2-amino-6-[(4-hydroxyphenyl)azo]-
  • 6-(4-hydroxyphenylazo)isocytosine
  • 6-(p-hydroxyphenylazo)isocytosine
CAS Number(s)
  • 40199-40-4
InChIKey XJZYVPJYRQJBNG-UHFFFAOYSA-N
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