ChemSpider 2D Image | 3-(4-Methoxyphenyl)(2,2-~2~H_2_)propanoic acid | C10H10D2O3

3-(4-Methoxyphenyl)(2,2-2H2)propanoic acid

  • Molecular FormulaC10H10D2O3
  • Average mass182.213 Da
  • Monoisotopic mass182.091202 Da
  • ChemSpider ID8854339

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(4-Methoxyphenyl)(2,2-2H2)propanoic acid [ACD/IUPAC Name]
3-(4-Methoxyphenyl)(2,2-2H2)propansäure [German] [ACD/IUPAC Name]
Acide 3-(4-méthoxyphényl)(2,2-2H2)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic-α,α-d2 acid, 4-methoxy- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 318.5±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 125.8±14.4 °C
Index of Refraction: 1.531
Molar Refractivity: 48.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 3.49
ACD/KOC (pH 5.5): 48.81
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 157.4±3.0 cm3

Click to predict properties on the Chemicalize site


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