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

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Properties Simple | Detailed

Formula C14H15N5O5+
IUPAC Name 4-[3-[(2-amino-5-nitroso-4-oxo-1h-pyrimidin-6-yl)amino]propoxy]benzoic acid
Molecular Mass 333.299 g·mol−1
Heat of Formation -485.3 ± 16.7 kJ·mol−1
Dipole Moment 8.91 ± 1.08 D
Volume 368.89 Å 3
Surface Area 349.19 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry Cs
InChIKey DEMFGJNJURCTNT-UHFFFAOYSA-N
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