Ethyl 4-Oxo-4H-3,1-Benzoxazine-2-Carboxylate

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Properties Simple | Detailed

Formula C11H9NO4
IUPAC Name ethyl 4-oxo-3,1-benzoxazine-2-carboxylate
Molecular Mass 219.193 g·mol−1
Heat of Formation -473.7 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 239.43 Å 3
Surface Area 239.37 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-ethoxycarbonyl-4h-3,1-benzoxazin-4-one
  • 4-keto-3,1-benzoxazine-2-carboxylic acid ethyl ester
  • 4-oxo-3,1-benzoxazine-2-carboxylic acid ethyl ester
  • 4h-3,1-benzoxazine-2-carboxylic acid, 4-oxo-, ethyl ester
  • ecbox
CAS Number(s)
  • 31143-83-6
InChIKey VLBIKPWFWFWRCF-UHFFFAOYSA-N
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