3',6'-Dihydroxy-4',5'-Dimethoxy-3-Oxo-3H-Spiro[2-Benzofuran-1,9'-Xanthene]-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C23H16O9
IUPAC Name (3r)-3',6'-dihydroxy-4',5'-dimethoxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylate
Molecular Mass 436.368 g·mol−1
Heat of Formation -531.7 ± 16.7 kJ·mol−1
Dipole Moment 27.90 ± 1.08 D
Volume 455.35 Å 3
Surface Area 383.61 Å 2
HOMO Energy -7.60 ± 0.55 eV
LUMO Energy -2.86 ± eV
Point Group Symmetry C1
Synonyms
  • 3',6'-dihydroxy-1-keto-4',5'-dimethoxy-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid
  • 3',6'-dihydroxy-4',5'-dimethoxy-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]carboxylic acid
  • 3',6'-dihydroxy-4',5'-dimethoxy-1-oxo-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
  • 3',6'-dihydroxy-4',5'-dimethoxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
  • 4',5'-dimethoxy-6-carboxyfluorescein
  • dm-6-cf
  • spiro(isobenzofuran-1(3h),9'-(9h)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-4',5'-dimethoxy-3-oxo-
CAS Number(s)
  • 75929-58-7
InChIKey DCPHSBOTFHCNQC-UHFFFAOYSA-N
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