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ChemSpider 2D Image | 1,3-Dioxo-2-propanyl dihydrogen phosphate | C3H5O6P

1,3-Dioxo-2-propanyl dihydrogen phosphate

  • Molecular FormulaC3H5O6P
  • Average mass168.042 Da
  • Monoisotopic mass167.982376 Da
  • ChemSpider ID95735466

More details:

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

1,3-Dioxo-2-propanyl dihydrogen phosphate [ACD/IUPAC Name]
1,3-Dioxo-2-propanyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 1,3-dioxo-2-propanyle [French] [ACD/IUPAC Name]
Propanedial, 2-(phosphonooxy)- [ACD/Index 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: 307.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.2±6.0 kJ/mol
Flash Point: 139.4±30.7 °C
Index of Refraction: 1.479
Molar Refractivity: 28.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -6.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 11.1±0.5 10-24cm3
Surface Tension: 76.8±3.0 dyne/cm
Molar Volume: 98.6±3.0 cm3

Click to predict properties on the Chemicalize site


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