[5-(5-Amino-1H-Pyrrolo[3,2-B]Pyridin-2-Yl)-6-Hydroxy-3'-Nitro-3-Biphenylyl]Acetic Acid

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Formula C21H16N4O5
IUPAC Name 2-[3-(5-aminopyrrolo[3,2-b]pyridin-1-ium-3a-ylium-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]acetic acid
Molecular Mass 404.376 g·mol−1
Heat of Formation -216.1 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 442.91 Å 3
Surface Area 398.53 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
InChIKey BVBGZXXLVHYBKI-UHFFFAOYSA-N
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