2,2-Azepanediylbis(Phosphonic Acid)

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Properties Simple | Detailed

Formula C6H15NO6P2
IUPAC Name (2-phosphonoazepan-2-yl)phosphonic acid
Molecular Mass 259.134 g·mol−1
Heat of Formation -1548.7 ± 16.7 kJ·mol−1
Dipole Moment 1.44 ± 1.08 D
Volume 267.51 Å 3
Surface Area 231.5 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2-phosphono-2-azepanyl)phosphonic acid
  • (hexahydro-2h-azepin-2-ylidene)bis(phosphonic) acid
CAS Number(s)
  • 56269-44-4
InChIKey BYOBJKVGOIXVED-UHFFFAOYSA-N
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