4-[(1E,7E)-8-(2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinyl)-3,6-Dioxa-2,7-Diazaocta-1,7-Dien-1-Yl]Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C15H14N4O6++
IUPAC Name 4-[(e)-2-[(e)-(2,6-dioxo-5h-pyrimidin-3-ium-5-id-4-yl)methyleneamino]oxyethoxyiminomethyl]benzoic acid
Molecular Mass 346.295 g·mol−1
Heat of Formation -533.8 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 385.14 Å 3
Surface Area 370.36 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
InChIKey XHDKIDMFBWLHAX-GONBZBRSSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N