[1-Hydroxy-2-(1,1':3',1''-Terphenyl-3-Yloxy)-1,1-Ethanediyl]Bis(Phosphonic Acid)

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Properties Simple | Detailed

Formula C20H20O8P2
IUPAC Name [1-hydroxy-2-[3-(3-phenylphenyl)phenoxy]-1-phosphono-ethyl]phosphonic acid
Molecular Mass 450.316 g·mol−1
Heat of Formation -1591.0 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 488.42 Å 3
Surface Area 421.71 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
Synonyms
  • [1-hydroxy-2-[3-(3-phenylphenyl)phenoxy]-1-phosphonoethyl]phosphonic acid
  • b76
InChIKey NWIARQRYIRVYCM-UHFFFAOYSA-N
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