3,5-Dihydroxy-2-(2-Methoxy-2-Oxoethyl)Phenyl 3,4-Dihydroxybenzoate

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Properties Simple | Detailed

Formula C16H14O8
IUPAC Name [3,5-dihydroxy-2-(2-methoxy-2-oxo-ethyl)phenyl] 3,4-dihydroxybenzoate
Molecular Mass 334.278 g·mol−1
Heat of Formation -1270.2 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 367.64 Å 3
Surface Area 321.23 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-dihydroxybenzoic acid [3,5-dihydroxy-2-(2-keto-2-methoxy-ethyl)phenyl] ester
  • 3,4-dihydroxybenzoic acid [3,5-dihydroxy-2-(2-methoxy-2-oxoethyl)phenyl] ester
  • [3,5-dihydroxy-2-(2-methoxy-2-oxoethyl)phenyl] 3,4-dihydroxybenzoate
InChIKey LFLJQGHNYLKTBB-UHFFFAOYSA-N
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