ChemSpider 2D Image | [7-Cyclopropyl-3-oxo-2-oxa-1-azabicyclo[2.2.1]hepta-4(7),5-dien-6-yl]methyl dihydrogen phosphate | C9H10NO6P

[7-Cyclopropyl-3-oxo-2-oxa-1-azabicyclo[2.2.1]hepta-4(7),5-dien-6-yl]methyl dihydrogen phosphate

  • Molecular FormulaC9H10NO6P
  • Average mass259.153 Da
  • Monoisotopic mass259.024567 Da
  • ChemSpider ID93797912

More details:

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

[7-Cyclopropyl-3-oxo-2-oxa-1-azabicyclo[2.2.1]hepta-4(7),5-dien-6-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[7-Cyclopropyl-3-oxo-2-oxa-1-azabicyclo[2.2.1]hepta-4(7),5-dien-6-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
2-Oxa-1-azabicyclo[2.2.1]hepta-4(7),5-dien-3-one, 7-cyclopropyl-6-[(phosphonooxy)methyl]- [ACD/Index Name]
Dihydrogénophosphate de [7-cyclopropyl-3-oxo-2-oxa-1-azabicyclo[2.2.1]hepta-4(7),5-dién-6-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 569.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.4±32.9 °C
Index of Refraction: 1.796
Molar Refractivity: 53.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -4.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 108.8±7.0 dyne/cm
Molar Volume: 125.4±7.0 cm3

Click to predict properties on the Chemicalize site


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