Found 4 results

Search term: APHVGKYWHWFAQV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 1-methyl(3-~2~H)-1H-pyrrole-2-carboxylate | C7H8DNO2

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

  • Molecular FormulaC7H8DNO2
  • Average mass140.158 Da
  • Monoisotopic mass140.069611 Da
  • ChemSpider ID10540066

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrrole-3-d-2-carboxylic acid, 1-methyl-, methyl ester [ACD/Index Name]
1-Méthyl(3-2H)-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 1-methyl(3-2H)-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-1-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: 1.1±0.1 g/cm3
Boiling Point: 204.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 77.6±19.8 °C
Index of Refraction: 1.500
Molar Refractivity: 38.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.92
ACD/KOC (pH 5.5): 192.68
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.92
ACD/KOC (pH 7.4): 192.68
Polar Surface Area: 31 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 34.6±7.0 dyne/cm
Molar Volume: 129.4±7.0 cm3

Click to predict properties on the Chemicalize site


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