ChemSpider 2D Image | Methyl (3-~2~H)-1H-pyrrole-2-carboxylate | C6H6DNO2

Methyl (3-2H)-1H-pyrrole-2-carboxylate

  • Molecular FormulaC6H6DNO2
  • Average mass126.131 Da
  • Monoisotopic mass126.053955 Da
  • ChemSpider ID10540063

  • Non-standard isotope - Non-standard isotope

More details:

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

(3-2H)-1H-Pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-d-2-carboxylic acid, methyl ester [ACD/Index Name]
Methyl (3-2H)-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-(3-2H)-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 230.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.7±3.0 kJ/mol
Flash Point: 93.1±19.8 °C
Index of Refraction: 1.527
Molar Refractivity: 32.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.63
ACD/KOC (pH 5.5): 119.87
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.63
ACD/KOC (pH 7.4): 119.87
Polar Surface Area: 42 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 105.6±3.0 cm3

Click to predict properties on the Chemicalize site


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