(3E)-3-(1H-Benzimidazol-2-Ylhydrazono)-6-Hydroxy-4-Oxo-1,5-Cyclohexadiene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H10N4O4
IUPAC Name (3e)-3-(benzimidazol-1-ium-2-ylhydrazono)-6-hydroxy-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid
Molecular Mass 298.254 g·mol−1
Heat of Formation -180.6 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 317.26 Å 3
Surface Area 301.8 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -2.54 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3-(1h-benzimidazol-2-ylhydrazinylidene)-6-hydroxy-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid
  • (3e)-3-(1h-benzimidazol-2-ylhydrazono)-6-hydroxy-4-keto-cyclohexa-1,5-diene-1-carboxylic acid
  • (3e)-3-(1h-benzimidazol-2-ylhydrazono)-6-hydroxy-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid
  • (3e)-3-(1h-benzimidazol-2-ylhydrazono)-6-hydroxy-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid
  • 2,4-dihydroxy-5-(2-benzimidazolylazo)benzoic acid
  • benzoic acid, 5-(1h-benzimidazol-2-ylazo)-2,4-dihydroxy-, (5alpha)-
  • biarez-b
CAS Number(s)
  • 97420-57-0
InChIKey QDWBTZZJXBKAAS-LICLKQGHSA-N
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