Methyl Vanillate

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Properties Simple | Detailed

Formula C9H10O4
IUPAC Name methyl 4-hydroxy-3-methoxy-benzoate
Molecular Mass 182.173 g·mol−1
Heat of Formation -588.5 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 207.94 Å 3
Surface Area 208.25 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-3-methoxy-benzoic acid methyl ester
  • 4-hydroxy-3-methoxybenzoic acid methyl ester
  • benzoic acid, 4-hydroxy-3-methoxy-, methyl ester
  • fr-1161
  • vanillic acid methyl ester
  • vanillic acid, methyl ester
  • vanillic acid, methyl ester (8ci)
  • vxx
CAS Number(s)
  • 3943-74-6
InChIKey BVWTXUYLKBHMOX-UHFFFAOYSA-N
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