1-(4-Methoxyphenyl)-3-(3-Nitrophenyl)-1,3-Propanedione

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Properties Simple | Detailed

Formula C16H13NO5
IUPAC Name 1-(4-methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
Molecular Mass 299.278 g·mol−1
Heat of Formation -273.5 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 334.75 Å 3
Surface Area 316.18 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 37975-16-9
InChIKey IGEZAWGTOAHSLD-UHFFFAOYSA-N
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