ChemSpider 2D Image | 4-(3-Ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid | C9H13N3O5

4-(3-Ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid

  • Molecular FormulaC9H13N3O5
  • Average mass243.217 Da
  • Monoisotopic mass243.085526 Da
  • ChemSpider ID38777572

More details:






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

1H-Pyrazole-1-butanoic acid, 3-ethoxy-4-nitro- [ACD/Index Name]
4-(3-Ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid [ACD/IUPAC Name]
4-(3-Ethoxy-4-nitro-1H-pyrazol-1-yl)butansäure [German] [ACD/IUPAC Name]
Acide 4-(3-éthoxy-4-nitro-1H-pyrazol-1-yl)butanoïque [French] [ACD/IUPAC Name]
1855889-87-0 [RN]
4-(3-ETHOXY-4-NITROPYRAZOL-1-YL)BUTANOIC ACID
4-(3-Ethoxy-4-nitro-pyrazol-1-yl)-butyric acid
MFCD29060624

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

Density: 1.4±0.1 g/cm3
Boiling Point: 477.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.7±25.9 °C
Index of Refraction: 1.586
Molar Refractivity: 57.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.28
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 170.1±7.0 cm3

Click to predict properties on the Chemicalize site






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