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Search term: FPKSPQNXHHFSNA-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Methoxybenzyl 1H-pyrazole-4-carboxylate | C12H12N2O3

3-Methoxybenzyl 1H-pyrazole-4-carboxylate

  • Molecular FormulaC12H12N2O3
  • Average mass232.235 Da
  • Monoisotopic mass232.084793 Da
  • ChemSpider ID128730915

More details:

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

1H-Pyrazole-4-carboxylate de 3-méthoxybenzyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, (3-methoxyphenyl)methyl ester [ACD/Index Name]
3-Methoxybenzyl 1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
3-Methoxybenzyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 427.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.6±23.2 °C
Index of Refraction: 1.587
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.22
ACD/KOC (pH 5.5): 399.18
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.21
ACD/KOC (pH 7.4): 399.15
Polar Surface Area: 64 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 183.6±3.0 cm3

Click to predict properties on the Chemicalize site


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