({Hydroxy[(3-Methyl-3-Buten-1-Yl)Oxy]Phosphoryl}Methyl)Phosphonic Acid

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Properties Simple | Detailed

Formula C6H14O6P2
IUPAC Name [hydroxy(3-methylbut-3-enoxy)phosphoryl]methylphosphonic acid
Molecular Mass 244.119 g·mol−1
Heat of Formation -1603.5 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 265.45 Å 3
Surface Area 230.13 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (hydroxy-(3-methylbut-3-enoxy)phosphoryl)methylphosphonic acid
  • ipcp
  • isopentenyl methylenediphosphonate
CAS Number(s)
  • 118447-96-4
InChIKey OYYYPYWQLRODNN-UHFFFAOYSA-N
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