(3R,3Ar)-3-(3-Furyl)-3A,7-Dimethyl-3A,4,5,6-Tetrahydro-2-Benzofuran-1(3H)-One

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Properties Simple | Detailed

Formula C14H16O3
IUPAC Name (3r,3ar)-3-(3-furyl)-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one
Molecular Mass 232.275 g·mol−1
Heat of Formation -390.6 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 280.41 Å 3
Surface Area 245.65 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3ar)-3-(3-furyl)-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one
  • (3r,3ar)-3-furan-3-yl-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
  • 1(3h)-isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3r-cis)- (9ci)
  • fraxinellone
  • phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-
CAS Number(s)
  • 28808-62-0
InChIKey XYYAFLHHHZVPRN-GXTWGEPZSA-N
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