(4R,5S)-4-Hydroxy-3,4,5-Trimethyl-5,6,7,8-Tetrahydronaphtho[2,3-B]Furan-9(4H)-One

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Properties Simple | Detailed

Formula C15H18O3
IUPAC Name (4r,5s)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f]benzofuran-9-one
Molecular Mass 246.302 g·mol−1
Heat of Formation -415.2 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 297.14 Å 3
Surface Area 256.39 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzoxol-9-one
  • (4r,5s)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f]benzofuran-9-one
  • naphtho[2,3-b]furan-9(4h)-one, 5,6,7,8-tetrahydro-4-hydroxy-3,4,5-trimethyl-, (4r,5s)-
InChIKey VNNQNPHIASWXBS-VXJOIVPMSA-N
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