4-{3-[(2-Amino-6-Hydroxy-5-Nitrosopyrimidin-4-Yl)Amino]Propoxy}Benzoic Acid

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Formula C14H16N5O5
IUPAC Name 4-[3-[[(5z)-2-amino-5-oxidoimino-6-oxo-1h-pyrimidin-3-ium-4-yl]amino]propoxy]benzoic acid
Molecular Mass 334.307 g·mol−1
Heat of Formation -485.3 ± 16.7 kJ·mol−1
Dipole Moment 8.91 ± 1.08 D
Volume 368.93 Å 3
Surface Area 350.21 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry Cs
InChIKey DEMFGJNJURCTNT-UHFFFAOYSA-O
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