2,2,4-Trimethyl-7-(2-Methylenebutanoyl)-2H-1,4-Benzoxazin-3(4H)-One

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Properties Simple | Detailed

Formula C16H19NO3
IUPAC Name 2,2,4-trimethyl-7-(2-methylenebutanoyl)-1,4-benzoxazin-3-one
Molecular Mass 273.327 g·mol−1
Heat of Formation -417.6 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 339.56 Å 3
Surface Area 299.07 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2,4-trimethyl-7-(2-methylene-1-oxobutyl)-1,4-benzoxazin-3-one
  • 2,2,4-trimethyl-7-(2-methylene-1-oxobutyl)-2h-1,4-benzoxazin-3(4h)-one
  • 2,2,4-trimethyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one
  • 2h-1,4-benzoxazin-3(4h)-one, 7-(2-methylene-1-oxobutyl)-2,2,4-trimethyl-
  • 7-(2-ethylacryloyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
  • 7-(2-methylene-1-oxobutyl)-2,2,4-trimethyl-2h-1,4-benzoxazin-3(4h)-one
CAS Number(s)
  • 116337-83-8
InChIKey XLZPUZPNBBONQU-UHFFFAOYSA-N
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