3-[(3-Hydroxy-4-Methoxy-5-Nitro-Phenyl)Methylene]Pentane-2,4-Dione

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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 -550.6 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 319.78 Å 3
Surface Area 286.78 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
InChIKey OYCZQPUXFUHCAN-UHFFFAOYSA-N
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