ChemSpider 2D Image | METHYL 3-(3-ETHOXY-4-NITROPYRAZOL-1-YL)PROPANOATE | C9H13N3O5

METHYL 3-(3-ETHOXY-4-NITROPYRAZOL-1-YL)PROPANOATE

  • Molecular FormulaC9H13N3O5
  • Average mass243.217 Da
  • Monoisotopic mass243.085526 Da
  • ChemSpider ID38777565

More details:

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

1855900-17-2 [RN]
1H-Pyrazole-1-propanoic acid, 3-ethoxy-4-nitro-, methyl ester [ACD/Index Name]
3-(3-Éthoxy-4-nitro-1H-pyrazol-1-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)propanoate [ACD/IUPAC Name]
METHYL 3-(3-ETHOXY-4-NITROPYRAZOL-1-YL)PROPANOATE
Methyl-3-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)propanoat [German] [ACD/IUPAC Name]
3-(3-Ethoxy-4-nitro-pyrazol-1-yl)-propionic acid methyl ester
MFCD29060617

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

Density: 1.4±0.1 g/cm3
Boiling Point: 398.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 194.6±25.1 °C
Index of Refraction: 1.556
Molar Refractivity: 57.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.17
ACD/KOC (pH 5.5): 112.81
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.17
ACD/KOC (pH 7.4): 112.81
Polar Surface Area: 99 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 178.4±7.0 cm3

Click to predict properties on the Chemicalize site


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