(6S,7Ar)-6-Hydroxy-4,4,7A-Trimethyl-5,6,7,7A-Tetrahydro-1-Benzofuran-2(4H)-One

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Properties Simple | Detailed

Formula C11H16O3
IUPAC Name (6s,7ar)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5h-benzofuran-2-one
Molecular Mass 196.243 g·mol−1
Heat of Formation -567.1 ± 16.7 kJ·mol−1
Dipole Moment 6.66 ± 1.08 D
Volume 243.25 Å 3
Surface Area 211.23 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,7ar)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5h-1-benzofuran-2-one
  • (6s,7ar)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5h-benzofuran-2-one
  • 1,3-dihydroxy-3,5,5-trimethylcyclohexylidene-4-acetic acid lactone
  • 2(4h)-benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-, (6s-cis)-
  • loliolide
CAS Number(s)
  • 11028-27-6
InChIKey XEVQXKKKAVVSMW-WRWORJQWSA-N
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