ChemSpider 2D Image | 5-Nitro-1,3-benzodioxole-2-carboxylic acid | C8H5NO6

5-Nitro-1,3-benzodioxole-2-carboxylic acid

  • Molecular FormulaC8H5NO6
  • Average mass211.128 Da
  • Monoisotopic mass211.011688 Da
  • ChemSpider ID62073315

More details:






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

1,3-Benzodioxole-2-carboxylic acid, 5-nitro- [ACD/Index Name]
5-Nitro-1,3-benzodioxol-2-carbonsäure [German] [ACD/IUPAC Name]
5-Nitro-1,3-benzodioxole-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-nitro-1,3-benzodioxole-2-carboxylique [French] [ACD/IUPAC Name]
873557-24-5 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 430.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 214.4±28.7 °C
Index of Refraction: 1.642
Molar Refractivity: 45.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 124.7±3.0 cm3

Click to predict properties on the Chemicalize site






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