ChemSpider 2D Image | (2S)-Tetrahydro-2-furanylmethyl nicotinate | C11H13NO3

(2S)-Tetrahydro-2-furanylmethyl nicotinate

  • Molecular FormulaC11H13NO3
  • Average mass207.226 Da
  • Monoisotopic mass207.089539 Da
  • ChemSpider ID32796773
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-Tetrahydro-2-furanylmethyl nicotinate [ACD/IUPAC Name]
(2S)-Tetrahydro-2-furanylmethyl-nicotinat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, [(2S)-tetrahydro-2-furanyl]methyl ester [ACD/Index Name]
Nicotinate de (2S)-tétrahydro-2-furanylméthyle [French] [ACD/IUPAC Name]
200-727-5 [EINECS]
70-19-9 [RN]
Thurfyl Nicotinate
UNII-F3B9JHL36W

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 318.7±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 146.5±19.6 °C
Index of Refraction: 1.527
Molar Refractivity: 54.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.48
ACD/KOC (pH 5.5): 117.47
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.50
ACD/KOC (pH 7.4): 117.93
Polar Surface Area: 48 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 176.3±3.0 cm3

Click to predict properties on the Chemicalize site






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