(5R,5Ar,8Ar)-5-(1,3-Benzodioxol-5-Yl)-5,8,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(5Ah)-One

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Properties Simple | Detailed

Formula C20H16O6
IUPAC Name (5r,5ar,8ar)-5-(1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
Molecular Mass 352.337 g·mol−1
Heat of Formation -664.5 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 381.29 Å 3
Surface Area 324.87 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (5ar,8ar,9r)-9-(1,3-benzodioxol-5-yl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5-(1,3-benzodioxol-5-yl)-5,8,8a,9-tetrahydro-, (5r,5ar,8ar)-
CAS Number(s)
  • 71640-49-8
InChIKey SCTKDFCQZSBHEE-RQUSPXKASA-N
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