ChemSpider 2D Image | (1R,2R)-2-Phenyl(3,3-~2~H_2_)cyclopropanecarboxylic acid | C10H8D2O2

(1R,2R)-2-Phenyl(3,3-2H2)cyclopropanecarboxylic acid

  • Molecular FormulaC10H8D2O2
  • Average mass164.197 Da
  • Monoisotopic mass164.080627 Da
  • ChemSpider ID67153682

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2R)-2-Phenyl(3,3-2H2)cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-Phenyl(3,3-2H2)cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R)-2-phényl(3,3-2H2)cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropane-2,2-d2-carboxylic acid, 3-phenyl-, (1R,3R)- [ACD/Index Name]
trans-3,3-dideuterio-2-phenylcyclopropanecarboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 317.1±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 144.3±19.5 °C
Index of Refraction: 1.600
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 24.34
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 129.7±3.0 cm3

Click to predict properties on the Chemicalize site


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