9-(O-Carboxyphenyl)-6-Hydroxy-3H-Xanthen-3-One

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Properties Simple | Detailed

Formula C20H12O5
IUPAC Name 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 332.306 g·mol−1
Heat of Formation -477.3 ± 16.7 kJ·mol−1
Dipole Moment 9.91 ± 1.08 D
Volume 365.82 Å 3
Surface Area 314.23 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (3h)xanthen-3-one, 10-deshydro-6-hydroxy-10-[2-carboxyphen-1-yl]-
  • 2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid
  • 2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid
  • 2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid
  • 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-benzoic acid
  • 3',6'-dihydroxy-spiro[isobenzofuran-1(3h),9'-[9h]xanthen]-3-one
  • 3h-xanthen-3-one, 6-hydroxy-10-[2-carboxyphenyl]-
  • aronis014456
  • cbdive_002901
  • tg2-210
InChIKey YKGGGCXBWXHKIZ-UHFFFAOYSA-N
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