ChemSpider 2D Image | 2-[(3E)-6-(3-Hydroxyphenyl)-3-hexene-1,5-diyn-1-yl]benzonitrile | C19H11NO

2-[(3E)-6-(3-Hydroxyphenyl)-3-hexene-1,5-diyn-1-yl]benzonitrile

  • Molecular FormulaC19H11NO
  • Average mass269.297 Da
  • Monoisotopic mass269.084076 Da
  • ChemSpider ID28561187

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(3E)-6-(3-Hydroxyphenyl)-3-hexen-1,5-diin-1-yl]benzonitril [German] [ACD/IUPAC Name]
2-[(3E)-6-(3-Hydroxyphenyl)-3-hexene-1,5-diyn-1-yl]benzonitrile [ACD/IUPAC Name]
2-[(3E)-6-(3-Hydroxyphényl)-3-hexène-1,5-diyn-1-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(3E)-6-(3-hydroxyphenyl)-3-hexene-1,5-diyn-1-yl]- [ACD/Index Name]
823227-14-1 [RN]
BENZONITRILE, 2-[6-(3-HYDROXYPHENYL)-3-HEXENE-1,5-DIYNYL]-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 481.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 245.2±28.7 °C
Index of Refraction: 1.680
Molar Refractivity: 81.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1943.22
ACD/KOC (pH 5.5): 7861.32
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1912.85
ACD/KOC (pH 7.4): 7738.48
Polar Surface Area: 44 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 215.1±5.0 cm3

Click to predict properties on the Chemicalize site


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