7-Chloro-4,6-Dimethoxy-2',6'-Dimethyl-3H,4'H-Spiro[1-Benzofuran-2,1'-Cyclohex[2]Ene]-3,4'-Dione

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Properties Simple | Detailed

Formula C17H17ClO5
IUPAC Name (2s,5'r)-7-chloro-4,6-dimethoxy-3',5'-dimethyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
Molecular Mass 336.767 g·mol−1
Heat of Formation -713.8 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 371.68 Å 3
Surface Area 309.78 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5'r)-7-chloro-4,6-dimethoxy-3',5'-dimethyl-spiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
  • (2s,5'r)-7-chloro-4,6-dimethoxy-3',5'-dimethyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
  • (2s,5'r)-7-chloro-4,6-dimethoxy-3',5'-dimethyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-quinone
  • (2s,5'r)-7-chloro-4,6-dimethoxy-3',5'-dimethylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
  • (2s,5'r)-7-chloro-4,6-dimethoxy-3',5'-dimethylspiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
InChIKey MHGHFPYONBUSLO-VVVCHXIZSA-N
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