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

METHYL 2-(3-ETHOXY-4-NITROPYRAZOL-1-YL)PROPANOATE

  • Molecular FormulaC9H13N3O5
  • Average mass243.217 Da
  • Monoisotopic mass243.085526 Da
  • ChemSpider ID38777566

More details:

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

1855890-45-7 [RN]
1H-Pyrazole-1-acetic acid, 3-ethoxy-α-methyl-4-nitro-, methyl ester [ACD/Index Name]
2-(3-Éthoxy-4-nitro-1H-pyrazol-1-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)propanoate [ACD/IUPAC Name]
METHYL 2-(3-ETHOXY-4-NITROPYRAZOL-1-YL)PROPANOATE
Methyl-2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)propanoat [German] [ACD/IUPAC Name]
2-(3-Ethoxy-4-nitro-pyrazol-1-yl)-propionic acid methyl ester
MFCD29060618

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

Density: 1.4±0.1 g/cm3
Boiling Point: 375.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 180.9±25.1 °C
Index of Refraction: 1.558
Molar Refractivity: 57.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.39
ACD/KOC (pH 5.5): 116.29
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.39
ACD/KOC (pH 7.4): 116.29
Polar Surface Area: 99 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 177.6±7.0 cm3

Click to predict properties on the Chemicalize site


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