ChemSpider 2D Image | [2-(3-Hydroxy-1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | C5H10N3O4P

[2-(3-Hydroxy-1H-1,2,4-triazol-1-yl)propyl]phosphonic acid

  • Molecular FormulaC5H10N3O4P
  • Average mass207.124 Da
  • Monoisotopic mass207.040894 Da
  • ChemSpider ID67162599

More details:

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

[2-(3-Hydroxy-1H-1,2,4-triazol-1-yl)propyl]phosphonic acid [ACD/IUPAC Name]
[2-(3-Hydroxy-1H-1,2,4-triazol-1-yl)propyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [2-(3-hydroxy-1H-1,2,4-triazol-1-yl)propyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-(3-hydroxy-1H-1,2,4-triazol-1-yl)propyl]- [ACD/Index Name]
2-hydroxy-3-(1,2,4-triazol-1-yl) propylphosphonate

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

Density: 1.8±0.1 g/cm3
Boiling Point: 568.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.5±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 43.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.32
ACD/LogD (pH 5.5): -5.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 94.4±7.0 dyne/cm
Molar Volume: 113.5±7.0 cm3

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