(6S,7As)-3,6-Dimethyl-5,6,7,7A-Tetrahydro-1-Benzofuran-2(4H)-One

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Properties Simple | Detailed

Formula C10H14O2
IUPAC Name (6s,7as)-3,6-dimethyl-5,6,7,7a-tetrahydro-4h-benzofuran-2-one
Molecular Mass 166.217 g·mol−1
Heat of Formation -379.9 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 211.81 Å 3
Surface Area 200.52 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,7as)-3,6-dimethyl-5,6,7,7a-tetrahydro-4h-1-benzofuran-2-one
  • (6s,7as)-3,6-dimethyl-5,6,7,7a-tetrahydro-4h-benzofuran-2-one
InChIKey VUVQBYIJRDUVHT-RCOVLWMOSA-N
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