4-(4-Oxo-4H-Chromen-2-Yl)Benzonitrile

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Properties Simple | Detailed

Formula C16H10NO2+
IUPAC Name 4-(4-oxochromen-2-yl)benzonitrile
Molecular Mass 248.256 g·mol−1
Heat of Formation 97.1 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 284.53 Å 3
Surface Area 268.85 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry Cs
InChIKey VDQXIGZGRYCKAE-UHFFFAOYSA-O
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