(2,4-Dioxo-2H-3,1-Benzoxazin-1(4H)-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C10H8NO5++
IUPAC Name 2-(2,4-dioxo-3,1-benzoxazin-1-yl)acetic acid
Molecular Mass 222.174 g·mol−1
Heat of Formation -730.6 ± 16.7 kJ·mol−1
Dipole Moment 6.70 ± 1.08 D
Volume 230.63 Å 3
Surface Area 216.44 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2,4-diketo-3,1-benzoxazin-1-yl)acetic acid
  • 2-(2,4-dioxo-3,1-benzoxazin-1-yl)ethanoic acid
  • 2h-3,1-benzoxazine-1(4h)-acetic acid, 2,4-dioxo-
  • n-carboxymethylisatoic anhydride
CAS Number(s)
  • 24648-52-0
InChIKey CXRYHXNGBDHERE-UHFFFAOYSA-N
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