ChemSpider 2D Image | (1-Methyl-4-sulfamoyl-1H-pyrrol-2-yl)(oxo)acetic acid | C7H8N2O5S

(1-Methyl-4-sulfamoyl-1H-pyrrol-2-yl)(oxo)acetic acid

  • Molecular FormulaC7H8N2O5S
  • Average mass232.214 Da
  • Monoisotopic mass232.015396 Da
  • ChemSpider ID58179307

More details:

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

(1-Methyl-4-sulfamoyl-1H-pyrrol-2-yl)(oxo)acetic acid [ACD/IUPAC Name]
(1-Methyl-4-sulfamoyl-1H-pyrrol-2-yl)(oxo)essigsäure [German] [ACD/IUPAC Name]
1H-Pyrrole-2-acetic acid, 4-(aminosulfonyl)-1-methyl-α-oxo- [ACD/Index Name]
Acide (1-méthyl-4-sulfamoyl-1H-pyrrol-2-yl)(oxo)acétique [French] [ACD/IUPAC Name]
1803562-63-1 [RN]
2-(1-methyl-4-sulfamoyl-1H-pyrrol-2-yl)-2-oxoacetic acid
MFCD28397406

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

Density: 1.7±0.1 g/cm3
Boiling Point: 508.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 261.5±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 50.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.18
ACD/LogD (pH 5.5): -4.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 76.9±7.0 dyne/cm
Molar Volume: 135.7±7.0 cm3

Click to predict properties on the Chemicalize site


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