(3E)-3-({4-[(Carboxymethyl)Carbamoyl]Phenyl}Hydrazono)-6-Oxo-1,4-Cyclohexadiene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H13N3O6
IUPAC Name (3e)-3-[[4-(carboxymethylcarbamoyl)phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
Molecular Mass 343.291 g·mol−1
Heat of Formation -653.5 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 377.98 Å 3
Surface Area 354.71 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -2.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3-[[4-(carboxymethylcarbamoyl)phenyl]hydrazinylidene]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
  • (3e)-3-[[4-(carboxymethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
  • (3e)-3-[[4-(carboxymethylcarbamoyl)phenyl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid
  • (3e)-3-[[4-(carboxymethylcarbamoyl)phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
  • (3e)-3-[[4-[(carboxymethylamino)-oxomethyl]phenyl]hydrazono]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
  • (e)-5-((4-(((carboxymethyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoic acid
  • (e)-p-((3-carboxy-4-hydroxyphenyl)azo)hippuric acid
  • benzoic acid, 5-((4-(((carboxymethyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, (e)-
  • bx 650 a
  • bx-650a
  • ipsalazida [spanish]
  • ipsalazide [ban:inn]
  • ipsalazido [spanish]
  • ipsalazidum [latin]
CAS Number(s)
  • 80573-03-1
InChIKey XZNVCJQXBZGVHJ-YBFXNURJSA-N
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