(3Ar,7Ar)-3A-Hydroxy-3,3A,7,7A-Tetrahydro-1-Benzofuran-6(2H)-One

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Properties Simple | Detailed

Formula C8H10O3
IUPAC Name (3ar,7ar)-3a-hydroxy-2,3,7,7a-tetrahydrobenzofuran-6-one
Molecular Mass 154.163 g·mol−1
Heat of Formation -458.2 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 180.07 Å 3
Surface Area 173.42 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,7ar)-3a-hydroxy-2,3,7,7a-tetrahydro-1-benzofuran-6-one
  • (3ar,7ar)-3a-hydroxy-2,3,7,7a-tetrahydrobenzofuran-6-one
InChIKey HSGPAWIMHOPPDA-SFYZADRCSA-N
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Elements H C O