Isobutyl Gallate

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Properties Simple | Detailed

Formula C11H14O5
IUPAC Name isobutyl 3,4,5-trihydroxybenzoate
Molecular Mass 226.226 g·mol−1
Heat of Formation -874.1 ± 16.7 kJ·mol−1
Dipole Moment 0.98 ± 1.08 D
Volume 267.0 Å 3
Surface Area 253.42 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropyl 3,4,5-trihydroxybenzoate
  • 3,4,5-trihydroxybenzoic acid isobutyl ester
  • gallic acid iso-butyl ester
CAS Number(s)
  • 3856-05-1
InChIKey UCLHVCFKZSLALE-UHFFFAOYSA-N
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