Methyl 3-Chloro-2-Hydroxy-6-[4-Hydroxy-2-Methoxy-6-(Methoxycarbonyl)Phenoxy]-4-Methylbenzoate

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Properties Simple | Detailed

Formula C18H17ClO8
IUPAC Name methyl 3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonyl-phenoxy)-4-methyl-benzoate
Molecular Mass 396.776 g·mol−1
Heat of Formation -1216.5 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 429.66 Å 3
Surface Area 364.64 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid methyl ester
  • 6-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-3-chloro-2-hydroxy-4-methyl-benzoic acid methyl ester
  • methyl 3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
InChIKey XSBBWBWHNNKSSM-UHFFFAOYSA-N
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Elements H C O Cl