ChemSpider 2D Image | 4-[(2-Methoxy-4-{(E)-[1-(4-nitrobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}phenoxy)methyl]benzoic acid | C26H21N3O8

4-[(2-Methoxy-4-{(E)-[1-(4-nitrobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}phenoxy)methyl]benzoic acid

  • Molecular FormulaC26H21N3O8
  • Average mass503.460 Da
  • Monoisotopic mass503.132874 Da
  • ChemSpider ID4703736

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-[(2-Methoxy-4-{(E)-[1-(4-nitrobenzyl)-2,5-dioxo-4-imidazolidinyliden]methyl}phenoxy)methyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(2-Methoxy-4-{(E)-[1-(4-nitrobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}phenoxy)methyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(2-méthoxy-4-{(E)-[1-(4-nitrobenzyl)-2,5-dioxo-4-imidazolidinylidène]méthyl}phénoxy)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-methoxy-4-[(E)-[1-[(4-nitrophenyl)methyl]-2,5-dioxo-4-imidazolidinylidene]methyl]phenoxy]methyl]- [ACD/Index Name]
4-{[2-methoxy-4-({1-[(4-nitrophenyl)methyl]-2,5-dioxo(1,3-diazolidin-4-ylidene)}methyl)phenoxy]methyl}benzoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 132.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 18.10
ACD/KOC (pH 5.5): 114.20
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.94
Polar Surface Area: 151 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 348.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement