Methyl 2-(2,6-Dihydroxy-4-Methylbenzoyl)-5-Hydroxy-3-Methoxybenzoate

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Properties Simple | Detailed

Formula C17H16O7
IUPAC Name methyl 2-(2,6-dihydroxy-4-methyl-benzoyl)-5-hydroxy-3-methoxy-benzoate
Molecular Mass 332.305 g·mol−1
Heat of Formation -1033.0 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 368.16 Å 3
Surface Area 320.36 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2,6-dihydroxy-4-methyl-benzoyl)-5-hydroxy-3-methoxy-benzoic acid methyl ester
  • 2-[(2,6-dihydroxy-4-methylphenyl)-oxomethyl]-5-hydroxy-3-methoxybenzoic acid methyl ester
  • acon0_000926
  • acon1_000208
  • benzoic acid, 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxy-, methyl ester
  • m-anisic acid, 5-hydroxy-2-(4-methyl-.gamma.-resorcyloyl)-, methyl ester
  • megxm0_000192
  • methyl 2-(2,6-dihydroxy-4-methyl-phenyl)carbonyl-5-hydroxy-3-methoxy-benzoate
  • sulochrin
CAS Number(s)
  • 519-57-3
InChIKey YJRLSCDUYLRBIZ-UHFFFAOYSA-N
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