1,3-Isobenzofurandione, Hexahydro-, Cis-

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Properties Simple | Detailed

Formula C8H10O3
IUPAC Name (3ar,7as)-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione
Molecular Mass 154.163 g·mol−1
Heat of Formation -543.8 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 177.92 Å 3
Surface Area 171.2 Å 2
HOMO Energy -11.04 ± 0.55 eV
LUMO Energy 3.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,7as)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
  • (3ar,7as)-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione
  • (3ar,7as)-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone
  • (3ar,7as)-hexahydro-2-benzofuran-1,3-dione
  • 1,2-cyclohexanedicarboxylic anhydride, predominantly cis
  • 1,3-isobenzofurandione, hexahydro-, (3ar,7as)-
  • rel-(3ar,7as)-hexahydro-2-benzofuran-1,3-dione
InChIKey MUTGBJKUEZFXGO-OLQVQODUSA-N
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