ChemSpider 2D Image | 1-[(3-~2~H)-1H-Pyrrol-2-yl]ethanone | C6H6DNO

1-[(3-2H)-1H-Pyrrol-2-yl]ethanone

  • Molecular FormulaC6H6DNO
  • Average mass110.132 Da
  • Monoisotopic mass110.059044 Da
  • ChemSpider ID10540057

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[(3-2H)-1H-Pyrrol-2-yl]ethanon [German] [ACD/IUPAC Name]
1-[(3-2H)-1H-Pyrrol-2-yl]ethanone [ACD/IUPAC Name]
1-[(3-2H)-1H-Pyrrol-2-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(1H-pyrrol-2-yl-3-d)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 220.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.7±3.0 kJ/mol
Flash Point: 92.4±27.3 °C
Index of Refraction: 1.531
Molar Refractivity: 30.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 81.77
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 81.77
Polar Surface Area: 33 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 99.3±3.0 cm3

Click to predict properties on the Chemicalize site


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