Methyl 4-{[2,6-Dimethoxy-4-(Methoxycarbonyl)Phenoxy]Methyl}Nicotinate

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Properties Simple | Detailed

Formula C18H19NO7
IUPAC Name methyl 4-[(2,6-dimethoxy-4-methoxycarbonyl-phenoxy)methyl]pyridine-3-carboxylate
Molecular Mass 361.346 g·mol−1
Heat of Formation -936.1 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 411.26 Å 3
Surface Area 339.18 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pyridinecarboxylic acid, 4-((2,6-dimethoxy-4-(methoxycarbonyl)phenoxy)methyl)-, methyl ester
  • 4-(3',5'-dimethoxy-4'-carboxyphenoxymethyl)nicotinic acid dimethyl ester
  • 4-[(2,6-dimethoxy-4-methoxycarbonylphenoxy)methyl]-3-pyridinecarboxylic acid methyl ester
  • 4-[(4-carbomethoxy-2,6-dimethoxy-phenoxy)methyl]nicotinic acid methyl ester
  • dimethyl cathate
  • methyl 4-[(2,6-dimethoxy-4-methoxycarbonylphenoxy)methyl]pyridine-3-carboxylate
CAS Number(s)
  • 61166-29-8
InChIKey AJZQTXFCEBGQOO-UHFFFAOYSA-N
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