ChemSpider 2D Image | 2-(Benzyloxy)-3-methoxy-5-{[1-(3-nitrophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}benzoic acid | C26H19N3O9

2-(Benzyloxy)-3-methoxy-5-{[1-(3-nitrophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}benzoic acid

  • Molecular FormulaC26H19N3O9
  • Average mass517.444 Da
  • Monoisotopic mass517.112122 Da
  • ChemSpider ID2570051

More details:

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

2-(Benzyloxy)-3-methoxy-5-{[1-(3-nitrophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}benzoesäure [German] [ACD/IUPAC Name]
2-(Benzyloxy)-3-methoxy-5-{[1-(3-nitrophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}benzoic acid [ACD/IUPAC Name]
Acide 2-(benzyloxy)-3-méthoxy-5-{[1-(3-nitrophényl)-2,4,6-trioxotétrahydro-5(2H)-pyrimidinylidène]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-methoxy-2-(phenylmethoxy)-5-[[tetrahydro-1-(3-nitrophenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.28
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 348.1±3.0 cm3

Click to predict properties on the Chemicalize site


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