ChemSpider 2D Image | 2,2-Bis(hydroxymethyl)-1,3-propanediyl bis(1H-pyrrole-2-carboxylate) | C15H18N2O6

2,2-Bis(hydroxymethyl)-1,3-propanediyl bis(1H-pyrrole-2-carboxylate)

  • Molecular FormulaC15H18N2O6
  • Average mass322.313 Da
  • Monoisotopic mass322.116486 Da
  • ChemSpider ID21126636

More details:

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

1H-Pyrrole-2-carboxylic acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester [ACD/Index Name]
2,2-Bis(hydroxymethyl)-1,3-propandiyl-bis(1H-pyrrol-2-carboxylat) [German] [ACD/IUPAC Name]
2,2-Bis(hydroxymethyl)-1,3-propanediyl bis(1H-pyrrole-2-carboxylate) [ACD/IUPAC Name]
Bis(1H-pyrrole-2-carboxylate) de 2,2-bis(hydroxyméthyl)-1,3-propanediyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 621.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.6±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 79.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.54
ACD/KOC (pH 5.5): 118.52
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.54
ACD/KOC (pH 7.4): 118.52
Polar Surface Area: 125 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 227.3±3.0 cm3

Click to predict properties on the Chemicalize site


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