2',7'-Dichloro-3',6'-Dihydroxy-3-Oxo-3H-Spiro[2-Benzofuran-1,9'-Xanthene]-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C21H10Cl2O7
IUPAC Name 2',7'-dichloro-3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid
Molecular Mass 445.206 g·mol−1
Heat of Formation -923.8 ± 16.7 kJ·mol−1
Dipole Moment 6.65 ± 1.08 D
Volume 440.32 Å 3
Surface Area 381.27 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry Cs
Synonyms
  • 2',7'-dichloro-3',6'-dihydroxy-1-keto-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid
  • 2',7'-dichloro-3',6'-dihydroxy-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]carboxylic acid
  • 2',7'-dichloro-3',6'-dihydroxy-1-oxo-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
  • 2',7'-dichloro-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
InChIKey HLRKQIBTEHWNND-UHFFFAOYSA-N
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Elements H C O Cl