3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3-One

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Properties Simple | Detailed

Formula C20H12O3
IUPAC Name spiro[isobenzofuran-3,9'-xanthene]-1-one
Molecular Mass 300.307 g·mol−1
Heat of Formation -121.5 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 333.5 Å 3
Surface Area 292.15 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-spiro[isobenzofuran-3,9'-xanthene]one
  • fluoran
  • spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one
  • spiro(isobenzofuran-1(3h),9'-xanthen)-3-one
  • spiro[2-benzofuran-3,9'-xanthene]-1-one
  • spiro[isobenzofuran-1(3h),9'-[9h]xanthen]-3-one
  • xanthylium, 9-(o-carboxyphenyl)-, hydroxide, inner salt
CAS Number(s)
  • 596-24-7
InChIKey FWQHNLCNFPYBCA-UHFFFAOYSA-N
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