ChemSpider 2D Image | {4-[(5-Amino-3-methyl-1,2-oxazol-4-yl)ethynyl]benzyl}phosphonic acid | C13H13N2O4P

{4-[(5-Amino-3-methyl-1,2-oxazol-4-yl)ethynyl]benzyl}phosphonic acid

  • Molecular FormulaC13H13N2O4P
  • Average mass292.227 Da
  • Monoisotopic mass292.061279 Da
  • ChemSpider ID91839635

More details:

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

{4-[(5-Amino-3-methyl-1,2-oxazol-4-yl)ethinyl]benzyl}phosphonsäure [German] [ACD/IUPAC Name]
{4-[(5-Amino-3-methyl-1,2-oxazol-4-yl)ethynyl]benzyl}phosphonic acid [ACD/IUPAC Name]
Acide {4-[(5-amino-3-méthyl-1,2-oxazol-4-yl)éthynyl]benzyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[4-[2-(5-amino-3-methyl-4-isoxazolyl)ethynyl]phenyl]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 609.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.3±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 71.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 197.5±5.0 cm3

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