ChemSpider 2D Image | 2-(Carboxyethynyl)-3-nitrobenzoic acid | C10H5NO6

2-(Carboxyethynyl)-3-nitrobenzoic acid

  • Molecular FormulaC10H5NO6
  • Average mass235.150 Da
  • Monoisotopic mass235.011688 Da
  • ChemSpider ID93746018

More details:

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

2-(Carboxyethinyl)-3-nitrobenzoesäure [German] [ACD/IUPAC Name]
2-(Carboxyethynyl)-3-nitrobenzoic acid [ACD/IUPAC Name]
Acide 2-(carboxyéthynyl)-3-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(2-carboxyethynyl)-3-nitro- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 514.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 227.2±18.6 °C
Index of Refraction: 1.677
Molar Refractivity: 52.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): -2.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 99.1±5.0 dyne/cm
Molar Volume: 139.7±5.0 cm3

Click to predict properties on the Chemicalize site


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