4-Hydroxy-3-[(1R)-1-(4-Nitrophenyl)-3-Oxo-Pentyl]Chromen-2-One

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Properties Simple | Detailed

Formula C20H17NO6
IUPAC Name 4-hydroxy-3-[(1r)-1-(4-nitrophenyl)-3-oxo-pentyl]chromen-2-one
Molecular Mass 367.352 g·mol−1
Heat of Formation -513.4 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 414.65 Å 3
Surface Area 348.59 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
InChIKey SEPIRJNNVGQETI-MRXNPFEDSA-O
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