ChemSpider 2D Image | 2-Carbamoyl(~2~H_4_)benzoic acid | C8H3D4NO3

2-Carbamoyl(2H4)benzoic acid

  • Molecular FormulaC8H3D4NO3
  • Average mass169.171 Da
  • Monoisotopic mass169.067703 Da
  • ChemSpider ID128918518

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Carbamoyl(2H4)benzoesäure [German] [ACD/IUPAC Name]
2-Carbamoyl(2H4)benzoic acid [ACD/IUPAC Name]
Acide 2-carbamoyl(2H4)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,3,4,5-d4 acid, 6-(aminocarbonyl)- [ACD/Index 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: 394.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 192.2±23.2 °C
Index of Refraction: 1.615
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 120.7±3.0 cm3

Click to predict properties on the Chemicalize site


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