ChemSpider 2D Image | Methyl 3-butyl-4-{[4-(hydroxymethyl)phenyl]sulfonyl}-1H-pyrrole-2-carboxylate | C17H21NO5S

Methyl 3-butyl-4-{[4-(hydroxymethyl)phenyl]sulfonyl}-1H-pyrrole-2-carboxylate

  • Molecular FormulaC17H21NO5S
  • Average mass351.417 Da
  • Monoisotopic mass351.114044 Da
  • ChemSpider ID30658774

More details:

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

1H-Pyrrole-2-carboxylic acid, 3-butyl-4-[[4-(hydroxymethyl)phenyl]sulfonyl]-, methyl ester [ACD/Index Name]
3-Butyl-4-{[4-(hydroxyméthyl)phényl]sulfonyl}-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-butyl-4-{[4-(hydroxymethyl)phenyl]sulfonyl}-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-3-butyl-4-{[4-(hydroxymethyl)phenyl]sulfonyl}-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 601.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.6±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 90.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.36
ACD/KOC (pH 5.5): 655.03
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.36
ACD/KOC (pH 7.4): 655.02
Polar Surface Area: 105 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 273.7±3.0 cm3

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