4-[(3-Formyl-2-Hydroxy-4-Methoxy-6-Methylbenzoyl)Oxy]-2-Hydroxy-3,6-Dimethylbenzoic Acid

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Properties Simple | Detailed

Formula C19H18O8
IUPAC Name 4-(3-formyl-2-hydroxy-4-methoxy-6-methyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoic acid
Molecular Mass 374.341 g·mol−1
Heat of Formation -1307.8 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 406.7 Å 3
Surface Area 359.6 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-4-(2-hydroxy-3-methanoyl-4-methoxy-6-methyl-phenyl)carbonyloxy-3,6-dimethyl-benzoic acid
  • 4-(3-formyl-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid
  • 4-[(3-formyl-2-hydroxy-4-methoxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-3,6-dimethylbenzoic acid
  • baeomycesic acid
InChIKey DUIBXZLCROUOFD-UHFFFAOYSA-N
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