1-(4-Nitrophenyl)Prop-2-Yn-1-One

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Properties Simple | Detailed

Formula C9H5NO3
IUPAC Name 1-(4-nitrophenyl)prop-2-yn-1-one
Molecular Mass 175.141 g·mol−1
Heat of Formation 206.0 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 198.42 Å 3
Surface Area 197.48 Å 2
HOMO Energy -10.96 ± 0.55 eV
LUMO Energy 1.07 ± eV
Point Group Symmetry Cs
InChIKey BNCNXKJPFDXBOO-UHFFFAOYSA-N
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