Methyl 2,4-Dihydroxy-3,6-Dimethylbenzoate

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Properties Simple | Detailed

Formula C10H12O4
IUPAC Name methyl 2,4-dihydroxy-3,6-dimethyl-benzoate
Molecular Mass 196.200 g·mol−1
Heat of Formation -726.8 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 226.99 Å 3
Surface Area 217.4 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-resorcylic acid, 3,6-dimethyl-, methyl ester
  • 2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester
  • 2,4-dihydroxy-3,6-dimethylbenzoic acid methyl ester
  • benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
  • beta-resorcyclic acid, 3,6-dimethyl-, methyl ester
  • beta-resorcylic acid, 3,6-dimethyl-, methyl ester
  • cbdive_016254
  • methyl 3,6-dimethylresorcylate
  • methyl atratate
  • methyl beta-orcinolcarboxylate
  • methyl-3-methylorsellinate; methyl beta-orcinolcarboxylate; evernyl; atraric acid;
CAS Number(s)
  • 136218-95-6
  • 4707-47-5
InChIKey UUQHKWMIDYRWHH-UHFFFAOYSA-N
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