ChemSpider 2D Image | 4-(Cyanomethoxy)-5-methoxy-2-nitrobenzoic acid | C10H8N2O6

4-(Cyanomethoxy)-5-methoxy-2-nitrobenzoic acid

  • Molecular FormulaC10H8N2O6
  • Average mass252.180 Da
  • Monoisotopic mass252.038239 Da
  • ChemSpider ID25992918

More details:

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

4-(Cyanmethoxy)-5-methoxy-2-nitrobenzoesäure [German] [ACD/IUPAC Name]
4-(Cyanomethoxy)-5-methoxy-2-nitrobenzoic acid [ACD/IUPAC Name]
Acide 4-(cyanométhoxy)-5-méthoxy-2-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(cyanomethoxy)-5-methoxy-2-nitro- [ACD/Index Name]
1096802-87-7 [RN]
MFCD11536189 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 495.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.2±28.7 °C
Index of Refraction: 1.586
Molar Refractivity: 57.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 171.7±3.0 cm3

Click to predict properties on the Chemicalize site


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