ChemSpider 2D Image | 2-Hydroperoxy-4,4-dihydroxy-3-butenoic acid | C4H6O6

2-Hydroperoxy-4,4-dihydroxy-3-butenoic acid

  • Molecular FormulaC4H6O6
  • Average mass150.087 Da
  • Monoisotopic mass150.016434 Da
  • ChemSpider ID95580179

More details:

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

2-Hydroperoxy-4,4-dihydroxy-3-butenoic acid [ACD/IUPAC Name]
2-Hydroperoxy-4,4-dihydroxy-3-butensäure [German] [ACD/IUPAC Name]
3-Butenoic acid, 2-hydroperoxy-4,4-dihydroxy- [ACD/Index Name]
Acide 2-hydroperoxy-4,4-dihydroxy-3-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 687.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 296.9±25.0 °C
Index of Refraction: 1.609
Molar Refractivity: 28.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 107.7±3.0 dyne/cm
Molar Volume: 81.9±3.0 cm3

Click to predict properties on the Chemicalize site


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