ChemSpider 2D Image | {2-[4-(Methoxycarbonyl)-1H-1,2,3-triazol-1-yl]ethyl}phosphonic acid | C6H10N3O5P

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

  • Molecular FormulaC6H10N3O5P
  • Average mass235.135 Da
  • Monoisotopic mass235.035812 Da
  • ChemSpider ID98918150

More details:

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

{2-[4-(Methoxycarbonyl)-1H-1,2,3-triazol-1-yl]ethyl}phosphonic acid [ACD/IUPAC Name]
{2-[4-(Methoxycarbonyl)-1H-1,2,3-triazol-1-yl]ethyl}phosphonsäure [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(2-phosphonoethyl)-, 4-methyl ester [ACD/Index Name]
Acide {2-[4-(méthoxycarbonyl)-1H-1,2,3-triazol-1-yl]éthyl}phosphonique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 500.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.7±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 49.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.34
ACD/LogD (pH 5.5): -5.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 83.4±7.0 dyne/cm
Molar Volume: 136.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement