(3E,4R)-4-(1,3-Benzodioxol-5-Ylmethyl)-3-(1,3-Benzodioxol-5-Ylmethylene)Dihydro-2(3H)-Furanone

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Properties Simple | Detailed

Formula C20H16O6
IUPAC Name (3e,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2-one
Molecular Mass 352.337 g·mol−1
Heat of Formation -622.8 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 392.47 Å 3
Surface Area 326.03 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)-2-tetrahydrofuranone
  • (3e,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2-one
  • (3e,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
  • savinin
CAS Number(s)
  • 493-95-8
InChIKey CMJGAYUQSLJSCR-ULIPXBITSA-N
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