ChemSpider 2D Image | 2,5-Dimethyl-1-(phenylsulfonyl)-1H-pyrrole-3,4-dicarbaldehyde | C14H13NO4S

2,5-Dimethyl-1-(phenylsulfonyl)-1H-pyrrole-3,4-dicarbaldehyde

  • Molecular FormulaC14H13NO4S
  • Average mass291.322 Da
  • Monoisotopic mass291.056519 Da
  • ChemSpider ID24741714

More details:

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

1H-Pyrrole-3,4-dicarboxaldehyde, 2,5-dimethyl-1-(phenylsulfonyl)- [ACD/Index Name]
2,5-Dimethyl-1-(phenylsulfonyl)-1H-pyrrol-3,4-dicarbaldehyd [German] [ACD/IUPAC Name]
2,5-Dimethyl-1-(phenylsulfonyl)-1H-pyrrole-3,4-dicarbaldehyde [ACD/IUPAC Name]
2,5-Diméthyl-1-(phénylsulfonyl)-1H-pyrrole-3,4-dicarbaldéhyde [French] [ACD/IUPAC Name]
147295-24-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 523.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.3±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 77.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.74
ACD/KOC (pH 5.5): 215.13
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.74
ACD/KOC (pH 7.4): 215.13
Polar Surface Area: 82 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 224.9±7.0 cm3

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