5-(2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-1-Yl)-2-(6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)Benzoic Acid

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Properties Simple | Detailed

Formula C24H21NO7
IUPAC Name 5-(2,5-dioxopyrrol-1-yl)-2-(3-hydroxy-6-oxo-2,4-dihydro-1h-xanthene-1,2,3,4,4a,8a,9,9a-octaid-9-yl)benzoic acid
Molecular Mass 435.426 g·mol−1
Heat of Formation -657.1 ± 16.7 kJ·mol−1
Dipole Moment 8.26 ± 1.08 D
Volume 457.65 Å 3
Surface Area 386.8 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-maleimido-benzoic acid
  • 5-(2,5-dioxo-1-pyrrolyl)-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid
  • 5-(2,5-dioxopyrrol-1-yl)-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid
InChIKey HFBMFFXWMZRDIY-UHFFFAOYSA-N
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