ChemSpider 2D Image | 4-{[2-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-5-nitrophenoxy]acetyl}phenyl (4-methoxyphenyl)acetate | C32H26N2O9

4-{[2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-5-nitrophenoxy]acetyl}phenyl (4-methoxyphenyl)acetate

  • Molecular FormulaC32H26N2O9
  • Average mass582.557 Da
  • Monoisotopic mass582.163818 Da
  • ChemSpider ID108346899

More details:

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

(4-Méthoxyphényl)acétate de 4-{2-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]déc-8-én-4-yl)-5-nitrophénoxy]acétyl}phényle [French] [ACD/IUPAC Name]
4-{[2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-5-nitrophenoxy]acetyl}phenyl (4-methoxyphenyl)acetate [ACD/IUPAC Name]
4-{[2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-5-nitrophenoxy]acetyl}phenyl-(4-methoxyphenyl)acetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, 4-methoxy-, 4-[2-[2-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)-5-nitrophenoxy]acetyl]phenyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 838.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 460.6±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 606.45
ACD/KOC (pH 5.5): 3416.06
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 606.45
ACD/KOC (pH 7.4): 3416.06
Polar Surface Area: 145 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 415.1±3.0 cm3

Click to predict properties on the Chemicalize site


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