(6R,7S,7As)-6,7-Dihydroxy-7,7A-Dihydro-1-Benzofuran-2(6H)-One

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Properties Simple | Detailed

Formula C8H8O4
IUPAC Name (6r,7s,7as)-6,7-dihydroxy-7,7a-dihydro-6h-benzofuran-2-one
Molecular Mass 168.147 g·mol−1
Heat of Formation -539.4 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 185.09 Å 3
Surface Area 181.08 Å 2
HOMO Energy -10.41 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7s,7as)-6,7-dihydroxy-7,7a-dihydro-6h-1-benzofuran-2-one
  • (6r,7s,7as)-6,7-dihydroxy-7,7a-dihydro-6h-benzofuran-2-one
  • 2(6h)-benzofuranone, 7,7a-dihydro-6,7-dihydroxy-, (6alpha,7beta,7abeta)-
InChIKey VXWUBYBAUIHOHG-DTLFHODZSA-N
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