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

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Properties Simple | Detailed

Formula C23H16O7
IUPAC Name 3',6'-dihydroxy-4',5'-dimethyl-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid
Molecular Mass 404.369 g·mol−1
Heat of Formation -941.4 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 438.52 Å 3
Surface Area 372.97 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 3',6'-dihydroxy-1-keto-4',5'-dimethyl-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid
  • 3',6'-dihydroxy-4',5'-dimethyl-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]carboxylic acid
  • 3',6'-dihydroxy-4',5'-dimethyl-1-oxo-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
  • 3',6'-dihydroxy-4',5'-dimethyl-3-oxospiro(isobenzofuran-1(3h),9'-(9h)xanthene)-6-carboxylic acid
  • 4',5'-dimethyl-6-carboxyfluorescein
  • 6-carboxy-4',5'-dimethylfluorescein
  • 6-carboxydimethylfluorescein
  • cdmfda
  • me2cfa2
  • spiro(isobenzofuran-1(3h),9'-(9h)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-4',5'-dimethyl-3-oxo-
CAS Number(s)
  • 100111-03-3
InChIKey ZINYNXRDPKOADB-UHFFFAOYSA-N
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