ChemSpider 2D Image | [4-(Cyanosulfamoyl)-1H-pyrazol-1-yl]acetic acid | C6H6N4O4S

[4-(Cyanosulfamoyl)-1H-pyrazol-1-yl]acetic acid

  • Molecular FormulaC6H6N4O4S
  • Average mass230.201 Da
  • Monoisotopic mass230.010971 Da
  • ChemSpider ID52369516

More details:






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

[4-(Cyanosulfamoyl)-1H-pyrazol-1-yl]acetic acid [ACD/IUPAC Name]
[4-(Cyansulfamoyl)-1H-pyrazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 4-[(cyanoamino)sulfonyl]- [ACD/Index Name]
Acide [4-(cyanosulfamoyl)-1H-pyrazol-1-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 513.5±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 264.4±31.8 °C
Index of Refraction: 1.697
Molar Refractivity: 51.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.38
ACD/LogD (pH 5.5): -4.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 86.6±7.0 dyne/cm
Molar Volume: 132.6±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement