3-O-Methylfunicone

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Properties Simple | Detailed

Formula C20H21O8+
IUPAC Name methyl 3,5-dimethoxy-2-[5-methoxy-4-oxo-6-[(e)-prop-1-enyl]pyran-3-carbonyl]benzoate
Molecular Mass 389.376 g·mol−1
Heat of Formation -1018.4 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 440.49 Å 3
Surface Area 373.17 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-keto-5-methoxy-6-[(e)-prop-1-enyl]pyran-3-carbonyl]-3,5-dimethoxy-benzoic acid methyl ester
  • 3,5-dimethoxy-2-[[5-methoxy-4-oxo-6-[(e)-prop-1-enyl]-3-pyranyl]-oxomethyl]benzoic acid methyl ester
  • acon0_000934
  • acon1_000360
  • megxm0_000103
  • methyl 3,5-dimethoxy-2-[5-methoxy-4-oxo-6-[(e)-prop-1-enyl]pyran-3-carbonyl]benzoate
  • methyl 3,5-dimethoxy-2-[5-methoxy-4-oxo-6-[(e)-prop-1-enyl]pyran-3-yl]carbonyl-benzoate
InChIKey WGLRJONCGNNMKL-VOTSOKGWSA-N
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