ChemSpider 2D Image | (2R)-2-(3-Benzoylphenyl)(3,3,3-~2~H_3_)propanoic acid | C16H11D3O3

(2R)-2-(3-Benzoylphenyl)(3,3,3-2H3)propanoic acid

  • Molecular FormulaC16H11D3O3
  • Average mass257.299 Da
  • Monoisotopic mass257.113129 Da
  • ChemSpider ID78075901

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-2-(3-Benzoylphenyl)(3,3,3-2H3)propanoic acid [ACD/IUPAC Name]
(2R)-2-(3-Benzoylphenyl)(3,3,3-2H3)propansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-(3-benzoylphényl)(3,3,3-2H3)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-benzoyl-α-(methyl-d3)-, (αR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 431.3±28.0 °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: 228.8±20.5 °C
Index of Refraction: 1.592
Molar Refractivity: 71.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 7.15
ACD/KOC (pH 5.5): 61.20
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 54 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 212.2±3.0 cm3

Click to predict properties on the Chemicalize site


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