3-(6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)Propanoic Acid

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Properties Simple | Detailed

Formula C16H20O5
IUPAC Name 3-(3-hydroxy-6-oxo-2,4-dihydro-1h-xanthene-1,2,3,4,4a,8a,9,9a-octaid-9-yl)propanoic acid
Molecular Mass 292.327 g·mol−1
Heat of Formation -633.1 ± 16.7 kJ·mol−1
Dipole Moment 8.04 ± 1.08 D
Volume 315.8 Å 3
Surface Area 287.0 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-hydroxy-6-keto-xanthen-9-yl)propionic acid
  • 3-(3-hydroxy-6-oxo-9-xanthenyl)propanoic acid
  • 3-(3-hydroxy-6-oxoxanthen-9-yl)propanoic acid
  • 6-hydroxy-3-oxo-3h-xanthene-9-propionic acid
  • xan-6-prop
CAS Number(s)
  • 16290-22-5
InChIKey RFRSCTPKEGYARM-UHFFFAOYSA-N
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Elements H C O