ChemSpider 2D Image | (2-{4-[(3-Hydroxyphenoxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)phosphonic acid | C11H14N3O5P

(2-{4-[(3-Hydroxyphenoxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)phosphonic acid

  • Molecular FormulaC11H14N3O5P
  • Average mass299.220 Da
  • Monoisotopic mass299.067108 Da
  • ChemSpider ID95159039

More details:

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

(2-{4-[(3-Hydroxyphenoxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)phosphonic acid [ACD/IUPAC Name]
(2-{4-[(3-Hydroxyphenoxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide (2-{4-[(3-hydroxyphénoxy)méthyl]-1H-1,2,3-triazol-1-yl}éthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-[4-[(3-hydroxyphenoxy)methyl]-1H-1,2,3-triazol-1-yl]ethyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 631.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.9±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 69.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -4.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 75.5±7.0 dyne/cm
Molar Volume: 189.0±7.0 cm3

Click to predict properties on the Chemicalize site


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