ChemSpider 2D Image | 1-Methoxy-3-[(1E)-2-nitro-1-buten-1-yl]benzene | C11H13NO3

1-Methoxy-3-[(1E)-2-nitro-1-buten-1-yl]benzene

  • Molecular FormulaC11H13NO3
  • Average mass207.226 Da
  • Monoisotopic mass207.089539 Da
  • ChemSpider ID62999124
  • Double-bond stereo - Double-bond stereo


More details:






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

1-Methoxy-3-[(1E)-2-nitro-1-buten-1-yl]benzene [ACD/IUPAC Name]
1-Méthoxy-3-[(1E)-2-nitro-1-butén-1-yl]benzène [French] [ACD/IUPAC Name]
1-Methoxy-3-[(1E)-2-nitro-1-buten-1-yl]benzol [German] [ACD/IUPAC Name]
Benzene, 1-methoxy-3-[(1E)-2-nitro-1-buten-1-yl]- [ACD/Index Name]
23037-57-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 324.7±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 140.7±22.9 °C
Index of Refraction: 1.560
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.21
ACD/KOC (pH 5.5): 795.71
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.21
ACD/KOC (pH 7.4): 795.71
Polar Surface Area: 55 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 183.5±3.0 cm3

Click to predict properties on the Chemicalize site






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