ChemSpider 2D Image | Allyl (2Z)-2-cyano-3-(4-hydroxy-3,5-diiodophenyl)acrylate | C13H9I2NO3

Allyl (2Z)-2-cyano-3-(4-hydroxy-3,5-diiodophenyl)acrylate

  • Molecular FormulaC13H9I2NO3
  • Average mass481.024 Da
  • Monoisotopic mass480.867157 Da
  • ChemSpider ID82766182

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyano-3-(4-hydroxy-3,5-diiodophényl)acrylate d'allyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-cyano-3-(4-hydroxy-3,5-diiodophenyl)-, 2-propen-1-yl ester, (2Z)- [ACD/Index Name]
Allyl (2Z)-2-cyano-3-(4-hydroxy-3,5-diiodophenyl)acrylate [ACD/IUPAC Name]
Allyl-(2Z)-2-cyan-3-(4-hydroxy-3,5-diiodphenyl)acrylat [German] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 438.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 218.9±28.7 °C
Index of Refraction: 1.704
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 618.28
ACD/KOC (pH 5.5): 3315.25
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 51.12
ACD/KOC (pH 7.4): 274.13
Polar Surface Area: 70 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 230.8±3.0 cm3

Click to predict properties on the Chemicalize site


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