ChemSpider 2D Image | (2S)-2,3-Bis(4-hydroxyphenyl)propanenitrile | C15H13NO2

(2S)-2,3-Bis(4-hydroxyphenyl)propanenitrile

  • Molecular FormulaC15H13NO2
  • Average mass239.269 Da
  • Monoisotopic mass239.094635 Da
  • ChemSpider ID28430333

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,3-Bis(4-hydroxyphenyl)propanenitrile [ACD/IUPAC Name]
(2S)-2,3-Bis(4-hydroxyphényl)propanenitrile [French] [ACD/IUPAC Name]
(2S)-2,3-Bis(4-hydroxyphenyl)propannitril [German] [ACD/IUPAC Name]
Benzenepropanenitrile, 4-hydroxy-α-(4-hydroxyphenyl)-, (αS)- [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: 449.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 225.6±25.9 °C
Index of Refraction: 1.640
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.15
ACD/KOC (pH 5.5): 721.95
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.25
ACD/KOC (pH 7.4): 712.56
Polar Surface Area: 64 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 190.4±3.0 cm3

Click to predict properties on the Chemicalize site


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