ChemSpider 2D Image | 5-(Methoxycarbonyl)-1-(methylsulfonyl)-1H-pyrrole-3-carboxylic acid | C8H9NO6S

5-(Methoxycarbonyl)-1-(methylsulfonyl)-1H-pyrrole-3-carboxylic acid

  • Molecular FormulaC8H9NO6S
  • Average mass247.225 Da
  • Monoisotopic mass247.015060 Da
  • ChemSpider ID60996635

More details:

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

1H-Pyrrole-2,4-dicarboxylic acid, 1-(methylsulfonyl)-, 2-methyl ester [ACD/Index Name]
5-(Methoxycarbonyl)-1-(methylsulfonyl)-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(Methoxycarbonyl)-1-(methylsulfonyl)-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-(méthoxycarbonyl)-1-(méthylsulfonyl)-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]
845868-07-7 [RN]
MFCD27955389

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

Density: 1.5±0.1 g/cm3
Boiling Point: 488.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 249.2±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 54.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.26
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 160.6±7.0 cm3

Click to predict properties on the Chemicalize site


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