Oxo[(7-Oxo-1,3,5-Cycloheptatrien-1-Yl)Amino]Acetic Acid

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Properties Simple | Detailed

Formula C9H7NO4
IUPAC Name 2-oxo-2-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]acetic acid
Molecular Mass 193.156 g·mol−1
Heat of Formation -451.0 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 211.12 Å 3
Surface Area 208.91 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2-keto-2-[(7-keto-1-cyclohepta-1,3,5-trienyl)amino]acetic acid
  • 2-oxo-2-[(7-oxo-1-cyclohepta-1,3,5-trienyl)amino]acetic acid
  • 2-oxo-2-[(7-oxo-1-cyclohepta-1,3,5-trienyl)amino]ethanoic acid
  • acetic acid, oxo((7-oxo-1,3,5-cycloheptatrien-1-yl)amino)-
  • n-troponyloxamic acid
CAS Number(s)
  • 65425-79-8
InChIKey JWMCYMFRBJEIIV-UHFFFAOYSA-N
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