ChemSpider 2D Image | Methyl (2S,3R)-3-hydroxy-3-phenyl(2-~2~H_1_)propanoate | C10H11DO3

Methyl (2S,3R)-3-hydroxy-3-phenyl(2-2H1)propanoate

  • Molecular FormulaC10H11DO3
  • Average mass181.207 Da
  • Monoisotopic mass181.084915 Da
  • ChemSpider ID8210798

  • 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

(2S,3R)-3-Hydroxy-3-phényl(2-2H1)propanoate de méthyle [French] [ACD/IUPAC Name]
Benzenepropanoic-α-d acid, β-hydroxy-, methyl ester, (αS,βR)- [ACD/Index Name]
Methyl (2S,3R)-3-hydroxy-3-phenyl(2-2H1)propanoate [ACD/IUPAC Name]
Methyl-(2S,3R)-3-hydroxy-3-phenyl(2-2H1)propanoat [German] [ACD/IUPAC 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: 300.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 128.4±15.1 °C
Index of Refraction: 1.528
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.26
ACD/KOC (pH 5.5): 114.28
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.26
ACD/KOC (pH 7.4): 114.28
Polar Surface Area: 47 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 157.0±3.0 cm3

Click to predict properties on the Chemicalize site


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