ChemSpider 2D Image | 3-(4-Hydroxy-3-methoxyphenyl)(2,3-~2~H_2_)propanoic acid | C10H10D2O4

3-(4-Hydroxy-3-methoxyphenyl)(2,3-2H2)propanoic acid

  • Molecular FormulaC10H10D2O4
  • Average mass198.212 Da
  • Monoisotopic mass198.086105 Da
  • ChemSpider ID9439084

  • Non-standard isotope - Non-standard isotope

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 376.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 151.1±17.2 °C
Index of Refraction: 1.562
Molar Refractivity: 50.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.27
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 155.8±3.0 cm3

Click to predict properties on the Chemicalize site


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