ChemSpider 2D Image | 2-[(~2~H_3_)Ethanoyloxy]benzoic acid | C9H5D3O4

2-[(2H3)Ethanoyloxy]benzoic acid

  • Molecular FormulaC9H5D3O4
  • Average mass183.176 Da
  • Monoisotopic mass183.061096 Da
  • ChemSpider ID24022402
  • Non-standard isotope - Non-standard isotope


More details:






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

2-[(2H3)Ethanoyloxy]benzoesäure [German] [ACD/IUPAC Name]
2-[(2H3)Ethanoyloxy]benzoic acid [ACD/IUPAC Name]
Acide 2-[(2H3)éthanoyloxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(1-oxoethyl-2,2,2-d3)oxy]- [ACD/Index Name]
921943-73-9 [RN]
ASPIRIN CD3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 321.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 131.2±16.7 °C
Index of Refraction: 1.551
Molar Refractivity: 44.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 139.6±3.0 cm3

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