Diethyl [(2E)-4-Oxo-2-Buten-1-Yl]Phosphonate

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Properties Simple | Detailed

Formula C8H15O4P
IUPAC Name (e)-4-diethoxyphosphorylbut-2-enal
Molecular Mass 206.176 g·mol−1
Heat of Formation -901.9 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 253.99 Å 3
Surface Area 234.49 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-diethoxyphosphorylbut-2-enal
  • 4-(diethylphosphono)-2-butenal
  • 4-depb
  • phosphonic acid, (4-oxo-2-butenyl)-, diethyl ester, (e)-
CAS Number(s)
  • 110905-37-8
InChIKey IIVXNWZBMVVKJU-AATRIKPKSA-N
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