(3R)-4,6-Dimethoxy-3-{4-Oxo-6-[(1E)-1-Propen-1-Yl]-4H-Pyran-3-Yl}-2-Benzofuran-1(3H)-One

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Properties Simple | Detailed

Formula C18H16O6
IUPAC Name (3r)-4,6-dimethoxy-3-[4-oxo-6-[(e)-prop-1-enyl]pyran-3-yl]-3h-isobenzofuran-1-one
Molecular Mass 328.316 g·mol−1
Heat of Formation -681.1 ± 16.7 kJ·mol−1
Dipole Moment 7.75 ± 1.08 D
Volume 369.94 Å 3
Surface Area 333.99 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(4-keto-6-prop-1-enyl-pyran-3-yl)-4,6-dimethoxy-3h-isobenzofuran-1-one
  • (3r)-3-[4-keto-6-[(e)-prop-1-enyl]pyran-3-yl]-4,6-dimethoxy-3h-isobenzofuran-1-one
  • (3r)-4,6-dimethoxy-3-(4-oxo-6-prop-1-enyl-3-pyranyl)-3h-isobenzofuran-1-one
  • (3r)-4,6-dimethoxy-3-(4-oxo-6-prop-1-enyl-pyran-3-yl)-3h-2-benzofuran-1-one
  • (3r)-4,6-dimethoxy-3-(4-oxo-6-prop-1-enyl-pyran-3-yl)-3h-isobenzofuran-1-one
  • (3r)-4,6-dimethoxy-3-(4-oxo-6-prop-1-enylpyran-3-yl)-3h-2-benzofuran-1-one
  • (3r)-4,6-dimethoxy-3-[4-oxo-6-[(e)-prop-1-enyl]-3-pyranyl]-3h-isobenzofuran-1-one
  • (3r)-4,6-dimethoxy-3-[4-oxo-6-[(e)-prop-1-enyl]pyran-3-yl]-3h-2-benzofuran-1-one
  • (3r)-4,6-dimethoxy-3-[4-oxo-6-[(e)-prop-1-enyl]pyran-3-yl]-3h-isobenzofuran-1-one
  • 5-(4,6-dimethoxyphthalidyl)-2-propenyl-4h-pyran-4-one
CAS Number(s)
  • 72669-21-7
  • 131602-06-7
InChIKey YORFGPDHNOBVBM-BDUNBXCCSA-N
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