Methyl (2S,3S)-2-(3,4-Dimethoxyphenyl)-5-Oxotetrahydro-3-Furancarboxylate

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Properties Simple | Detailed

Formula C14H16O6
IUPAC Name methyl (2s,3s)-2-(3,4-dimethoxyphenyl)-5-oxo-tetrahydrofuran-3-carboxylate
Molecular Mass 280.273 g·mol−1
Heat of Formation -929.6 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 319.96 Å 3
Surface Area 291.78 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-(3,4-dimethoxyphenyl)-5-keto-tetrahydrofuran-3-carboxylic acid methyl ester
  • (2s,3s)-2-(3,4-dimethoxyphenyl)-5-oxo-3-tetrahydrofurancarboxylic acid methyl ester
  • 3-furancarboxylic acid, 2-(3,4-dimethoxyphenyl)tetrahydro-5-oxo-, methyl ester, trans-(+-)-
  • 5-dpto-furancarboxylic acid
  • methyl (2s,3s)-2-(3,4-dimethoxyphenyl)-5-oxo-oxolane-3-carboxylate
  • methyl (2s,3s)-2-(3,4-dimethoxyphenyl)-5-oxo-tetrahydrofuran-3-carboxylate
  • methyl (2s,3s)-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxylate
  • methyl 5-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydro-2-oxo-4-furancarboxylate
CAS Number(s)
  • 119986-67-3
InChIKey USCRXCPMYUIYBB-TVQRCGJNSA-N
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Elements H C O