ChemSpider 2D Image | (3R)-3-(Benzyloxy)-1-(~2~H_3_)methyl-2,5-pyrrolidinedione | C12H10D3NO3

(3R)-3-(Benzyloxy)-1-(2H3)methyl-2,5-pyrrolidinedione

  • Molecular FormulaC12H10D3NO3
  • Average mass222.255 Da
  • Monoisotopic mass222.108368 Da
  • ChemSpider ID111314412

  • 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

(3R)-3-(Benzyloxy)-1-(2H3)methyl-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
(3R)-3-(Benzyloxy)-1-(2H3)methyl-2,5-pyrrolidinedione [ACD/IUPAC Name]
(3R)-3-(Benzyloxy)-1-(2H3)méthyl-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 1-(methyl-d3)-3-(phenylmethoxy)-, (3R)- [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: 371.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 178.5±25.9 °C
Index of Refraction: 1.571
Molar Refractivity: 58.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.18
ACD/KOC (pH 5.5): 79.71
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.18
ACD/KOC (pH 7.4): 79.71
Polar Surface Area: 47 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 177.5±5.0 cm3

Click to predict properties on the Chemicalize site


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