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

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Properties Simple | Detailed

Formula C23H16O7
IUPAC Name 3',6'-dihydroxy-4',5'-dimethyl-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid
Molecular Mass 404.369 g·mol−1
Heat of Formation -944.9 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 437.24 Å 3
Surface Area 372.4 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 3',6'-dihydroxy-3-keto-4',5'-dimethyl-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid
  • 3',6'-dihydroxy-4',5'-dimethyl-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid
  • 3',6'-dihydroxy-4',5'-dimethyl-3-oxo-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
  • 3',6'-dihydroxy-4',5'-dimethyl-3-oxospiro(isobenzofuran-1(3h),9'-(9h)xanthene)-5-carboxylic acid
  • 3',6'-dihydroxy-4',5'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
  • 4',5'-dimethyl-5-carboxyfluorescein
  • me2cf
  • spiro(isobenzofuran-1(3h),9'-(9h)xanthene)-5-carboxylic acid, 3',6'-dihydroxy-4',5'-dimethyl-3-oxo-
CAS Number(s)
  • 100111-02-2
InChIKey YBPPXXBBVCHENS-UHFFFAOYSA-N
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