ChemSpider 2D Image | 2-(4-CARBAMOYL-3-NITROPYRAZOL-1-YL)PROPANOIC ACID | C7H8N4O5

2-(4-CARBAMOYL-3-NITROPYRAZOL-1-YL)PROPANOIC ACID

  • Molecular FormulaC7H8N4O5
  • Average mass228.162 Da
  • Monoisotopic mass228.049469 Da
  • ChemSpider ID32846201

More details:

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

1823432-34-3 [RN]
1H-Pyrazole-1-acetic acid, 4-(aminocarbonyl)-α-methyl-3-nitro- [ACD/Index Name]
2-(4-Carbamoyl-3-nitro-1H-pyrazol-1-yl)propanoic acid [ACD/IUPAC Name]
2-(4-Carbamoyl-3-nitro-1H-pyrazol-1-yl)propansäure [German] [ACD/IUPAC Name]
2-(4-CARBAMOYL-3-NITROPYRAZOL-1-YL)PROPANOIC ACID
Acide 2-(4-carbamoyl-3-nitro-1H-pyrazol-1-yl)propanoïque [French] [ACD/IUPAC Name]
2-(4-Carbamoyl-3-nitro-pyrazol-1-yl)-propionic acid
2-[4-(aminocarbonyl)-3-nitro-1H-pyrazol-1-yl]propanoic acid
MFCD28962920

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

Density: 1.8±0.1 g/cm3
Boiling Point: 495.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.5±25.9 °C
Index of Refraction: 1.713
Molar Refractivity: 49.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -3.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 89.4±7.0 dyne/cm
Molar Volume: 125.5±7.0 cm3

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