Ethyl Oxo[(7-Oxo-1,3,5-Cycloheptatrien-1-Yl)Amino]Acetate

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Properties Simple | Detailed

Formula C11H11NO4
IUPAC Name ethyl 2-oxo-2-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]acetate
Molecular Mass 221.209 g·mol−1
Heat of Formation -467.1 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 252.67 Å 3
Surface Area 249.26 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2-keto-2-[(7-keto-1-cyclohepta-1,3,5-trienyl)amino]acetic acid ethyl ester
  • 2-oxo-2-[(7-oxo-1-cyclohepta-1,3,5-trienyl)amino]acetic acid ethyl ester
  • ay 25674
  • ethyl 2-oxo-2-[(7-oxo-1-cyclohepta-1,3,5-trienyl)amino]acetate
  • n-(2-oxo-3,5,7-cycloheptatrien-1-yl)aminooxoacetic acid ethyl ester
CAS Number(s)
  • 65425-48-1
InChIKey CRXULLXPVXXUJL-UHFFFAOYSA-N
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