ChemSpider 2D Image | (2E)-2-Acetyl-3-hydroxy-2-butenenitrile | C6H7NO2

(2E)-2-Acetyl-3-hydroxy-2-butenenitrile

  • Molecular FormulaC6H7NO2
  • Average mass125.125 Da
  • Monoisotopic mass125.047676 Da
  • ChemSpider ID57499393

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Acetyl-3-hydroxy-2-butenenitrile [ACD/IUPAC Name]
(2E)-2-Acétyl-3-hydroxy-2-butènenitrile [French] [ACD/IUPAC Name]
(2E)-2-Acetyl-3-hydroxy-2-butennitril [German] [ACD/IUPAC Name]
2-Butenenitrile, 2-acetyl-3-hydroxy-, (2E)- [ACD/Index Name]
2-BUTENENITRILE,2-ACETYL-3-HYDROXY-,(2Z)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 256.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.4±6.0 kJ/mol
Flash Point: 108.8±27.3 °C
Index of Refraction: 1.483
Molar Refractivity: 31.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 108.8±3.0 cm3

Click to predict properties on the Chemicalize site


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