ChemSpider 2D Image | {3-[3-(4-Methyl-1H-pyrazol-1-yl)-1-propyn-1-yl]benzyl}phosphonic acid | C14H15N2O3P

{3-[3-(4-Methyl-1H-pyrazol-1-yl)-1-propyn-1-yl]benzyl}phosphonic acid

  • Molecular FormulaC14H15N2O3P
  • Average mass290.254 Da
  • Monoisotopic mass290.082031 Da
  • ChemSpider ID108410363

More details:

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

{3-[3-(4-Methyl-1H-pyrazol-1-yl)-1-propin-1-yl]benzyl}phosphonsäure [German] [ACD/IUPAC Name]
{3-[3-(4-Methyl-1H-pyrazol-1-yl)-1-propyn-1-yl]benzyl}phosphonic acid [ACD/IUPAC Name]
Acide {3-[3-(4-méthyl-1H-pyrazol-1-yl)-1-propyn-1-yl]benzyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[3-[3-(4-methyl-1H-pyrazol-1-yl)-1-propyn-1-yl]phenyl]methyl]- [ACD/Index 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: 556.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.3±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 78.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 227.9±7.0 cm3

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