2-(4-Methylphenyl)-2-Oxoethyl 4-Nitrophenyl Methylphosphonate

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Formula C16H14NO6P
IUPAC Name (4-methylenecyclohexa-2,5-dien-1-ylidene)methanone; methyl-[4-nitro-6-(oxomethylene)cyclohexa-2,4-dien-1-yl]oxy-oxo-phosphonium
Molecular Mass 347.259 g·mol−1
Heat of Formation 2184.0 ± 16.7 kJ·mol−1
Dipole Moment 9.31 ± 1.08 D
Volume 357.72 Å 3
Surface Area 317.72 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -3.26 ± eV
Point Group Symmetry C1
InChIKey YMDSFQNYSQXCJB-DEOSSOPVSA-N
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