5-(4-{[4-(5-Carboxy-2-Furyl)Benzyl]Oxy}Phenyl)-1-(3-Methylphenyl)-1H-Pyrazole-3-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C29H22N2O6
IUPAC Name 5-[4-[[4-(5-carboxyfuran-1-ium-2-ylium-2-yl)phenyl]methoxy]phenyl]-1-(m-tolyl)pyrazole-3-carboxylic acid
Molecular Mass 494.495 g·mol−1
Heat of Formation -418.0 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 572.71 Å 3
Surface Area 498.64 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
InChIKey ZSLZQFLXJWWMLW-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N