Guacetisal

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name (2-methoxyphenyl) 2-acetoxybenzoate
Molecular Mass 286.279 g·mol−1
Heat of Formation -648.0 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 323.76 Å 3
Surface Area 290.0 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2-methoxyphenyl) 2-acetyloxybenzoate
  • 2-acetoxybenzoic acid (2-methoxyphenyl) ester
  • aspirin guaiacol ester
  • benzoic acid, 2-(acetyloxy)-, 2-methoxyphenyl ester
  • broncaspin
  • o-methoxyphenyl salicylate acetate
CAS Number(s)
  • 55482-89-8
InChIKey HSJFYRYGGKLQBT-UHFFFAOYSA-N
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