3-(3-Hydroxy-4-Methoxy-5-Nitrobenzylidene)-2,4-Pentanedione

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Properties Simple | Detailed

Formula C13H13NO6
IUPAC Name 3-[(3-hydroxy-4-methoxy-5-nitro-phenyl)methylene]pentane-2,4-dione
Molecular Mass 279.245 g·mol−1
Heat of Formation -551.0 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 319.92 Å 3
Surface Area 283.76 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-hydroxy-4-methoxy-5-nitro-benzylidene)pentane-2,4-dione
  • 3-[(3-hydroxy-4-methoxy-5-nitro-phenyl)methylidene]pentane-2,4-dione
  • 3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylene]pentane-2,4-dione
  • 3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione
  • 3-hmnbp
CAS Number(s)
  • 118724-88-2
InChIKey HIEZRGPTEOHFQX-UHFFFAOYSA-N
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