N-Butyl Gallate

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Properties Simple | Detailed

Formula C11H14O5
IUPAC Name butyl 3,4,5-trihydroxybenzoate
Molecular Mass 226.226 g·mol−1
Heat of Formation -855.4 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 264.61 Å 3
Surface Area 259.8 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trihydroxybenzoic acid butyl ester
  • benzoic acid, 3,4,5-trihydroxy-, butyl ester
  • benzoic acid, 3,4,5-trihydroxy-, butyl ester (9ci)
  • butyl gallate
  • cbdive_013159
  • gallic acid n-butyl ester
  • gallic acid, butyl ester
  • progallin butyl
CAS Number(s)
  • 1083-41-6
InChIKey XOPOEBVTQYAOSV-UHFFFAOYSA-N
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