Barceloneic Acid A

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Properties Simple | Detailed

Formula C16H16O7
IUPAC Name 2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methoxy-phenoxy]-4-methyl-benzoic acid
Molecular Mass 320.294 g·mol−1
Heat of Formation -1093.0 ± 16.7 kJ·mol−1
Dipole Moment 6.12 ± 1.08 D
Volume 356.09 Å 3
Surface Area 316.61 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methylol-phenoxy)-4-methyl-benzoic acid
  • 2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methoxyphenoxy]-4-methylbenzoic acid
  • acon0_001038
  • acon1_002402
  • megxm0_000394
InChIKey ULPVIBVOKQAXJB-UHFFFAOYSA-N
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Elements H C O