7-Methoxy-2-Methylene-3-Oxo-3,4-Dihydro-2H-1,4-Benzoxazine-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C11H10NO5++
IUPAC Name 7-methoxy-2-methylidene-3-oxo-4h-1,4-benzoxazine-5-carboxylic acid
Molecular Mass 236.201 g·mol−1
Heat of Formation -664.7 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 249.42 Å 3
Surface Area 240.42 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1,4-benzoxazine-5-carboxylic acid, 3,4-dihydro-7-methoxy-2-methylene-3-oxo-
  • 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2h-1,4-benzoxazine-5-carboxylic acid
  • 3-keto-7-methoxy-2-methylene-4h-1,4-benzoxazine-5-carboxylic acid
  • 7-methoxy-2-methylene-3-oxo-4h-1,4-benzoxazine-5-carboxylic acid
  • benzoxazolinate
  • degradation product ii-f3
CAS Number(s)
  • 105897-30-1
InChIKey INZXOXPPCUXFBP-UHFFFAOYSA-N
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