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Search term: CPLSIKDKCQIRAA (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2,4-Dioxobutyl dihydrogen phosphate | C4H7O6P

2,4-Dioxobutyl dihydrogen phosphate

  • Molecular FormulaC4H7O6P
  • Average mass182.068 Da
  • Monoisotopic mass181.998032 Da
  • ChemSpider ID96353742

More details:






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

2,4-Dioxobutyl dihydrogen phosphate [ACD/IUPAC Name]
2,4-Dioxobutyldihydrogenphosphat [German] [ACD/IUPAC Name]
Butanal, 3-oxo-4-(phosphonooxy)- [ACD/Index Name]
Dihydrogénophosphate de 2,4-dioxobutyle [French] [ACD/IUPAC 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: 380.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.1±6.0 kJ/mol
Flash Point: 184.2±30.7 °C
Index of Refraction: 1.479
Molar Refractivity: 32.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -5.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 114.5±3.0 cm3

Click to predict properties on the Chemicalize site






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