ChemSpider 2D Image | (4-Cyano-5-sulfamoyl-1H-pyrazol-1-yl)acetic acid | C6H6N4O4S

(4-Cyano-5-sulfamoyl-1H-pyrazol-1-yl)acetic acid

  • Molecular FormulaC6H6N4O4S
  • Average mass230.201 Da
  • Monoisotopic mass230.010971 Da
  • ChemSpider ID44368528

More details:






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

(4-Cyan-5-sulfamoyl-1H-pyrazol-1-yl)essigsäure [German] [ACD/IUPAC Name]
(4-Cyano-5-sulfamoyl-1H-pyrazol-1-yl)acetic acid [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 5-(aminosulfonyl)-4-cyano- [ACD/Index Name]
Acide (4-cyano-5-sulfamoyl-1H-pyrazol-1-yl)acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 634.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 337.5±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 49.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.09
ACD/LogD (pH 5.5): -3.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 97.7±7.0 dyne/cm
Molar Volume: 124.7±7.0 cm3

Click to predict properties on the Chemicalize site






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