4-{(2E)-2-[3-(Carboxymethyl)-4-Oxo-2,5-Cyclohexadien-1-Ylidene]Hydrazino}Benzoic Acid

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Formula C15H12N2O5
IUPAC Name 4-[(2e)-2-[3-(carboxymethyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]hydrazino]benzoic acid
Molecular Mass 300.266 g·mol−1
Heat of Formation -518.9 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 336.21 Å 3
Surface Area 316.35 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2e)-2-[3-(carboxymethyl)-4-oxo-1-cyclohexa-2,5-dienylidene]hydrazinyl]benzoic acid
  • 4-[(n'e)-n'-[3-(carboxymethyl)-4-keto-1-cyclohexa-2,5-dienylidene]hydrazino]benzoic acid
  • 4-[(n'e)-n'-[3-(carboxymethyl)-4-oxo-1-cyclohexa-2,5-dienylidene]hydrazino]benzoic acid
  • 5-(4-carboxyphenyl)azo-2-hydroxybenzeneacetic acid
  • benzeneacetic acid, 5-((4-carboxyphenyl)azo)-2-hydroxy-
  • ph ck 61a
  • ph-ck-61a
CAS Number(s)
  • 78028-03-2
InChIKey BTAWCJKNMSHFJK-SFQUDFHCSA-N
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