ChemSpider 2D Image | 2-Methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl methyl 5-nitroisophthalate | C20H17NO9

2-Methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl methyl 5-nitroisophthalate

  • Molecular FormulaC20H17NO9
  • Average mass415.350 Da
  • Monoisotopic mass415.090332 Da
  • ChemSpider ID31076224

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenedicarboxylic acid, 5-nitro-, 2-methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl methyl ester [ACD/Index Name]
2-Methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl methyl 5-nitroisophthalate [ACD/IUPAC Name]
2-Methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl-methyl-5-nitroisophthalat [German] [ACD/IUPAC Name]
5-Nitroisophtalate de 2-méthoxy-4-[(1E)-3-méthoxy-3-oxo-1-propén-1-yl]phényle et de méthyle [French] [ACD/IUPAC 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: 619.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 254.5±33.5 °C
Index of Refraction: 1.600
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 304.30
ACD/KOC (pH 5.5): 2085.22
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 304.30
ACD/KOC (pH 7.4): 2085.22
Polar Surface Area: 134 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 307.6±3.0 cm3

Click to predict properties on the Chemicalize site


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