ChemSpider 2D Image | 4,4-Dihydroxy-3-phosphono-3-butenoic acid | C4H7O7P

4,4-Dihydroxy-3-phosphono-3-butenoic acid

  • Molecular FormulaC4H7O7P
  • Average mass198.068 Da
  • Monoisotopic mass197.992935 Da
  • ChemSpider ID95777757

More details:

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

3-Butenoic acid, 4,4-dihydroxy-3-phosphono- [ACD/Index Name]
4,4-Dihydroxy-3-phosphono-3-butenoic acid [ACD/IUPAC Name]
4,4-Dihydroxy-3-phosphono-3-butensäure [German] [ACD/IUPAC Name]
Acide 4,4-dihydroxy-3-phosphono-3-buténoïque [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: 614.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 99.5±6.0 kJ/mol
Flash Point: 325.2±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 34.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -6.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 139.2±3.0 dyne/cm
Molar Volume: 96.6±3.0 cm3

Click to predict properties on the Chemicalize site


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