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

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

  • Molecular FormulaC4H6O6
  • Average mass150.087 Da
  • Monoisotopic mass150.016434 Da
  • ChemSpider ID95651840

More details:

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

3-Butenoic acid, 3-hydroperoxy-4,4-dihydroxy- [ACD/Index Name]
3-Hydroperoxy-4,4-dihydroxy-3-butenoic acid [ACD/IUPAC Name]
3-Hydroperoxy-4,4-dihydroxy-3-butensäure [German] [ACD/IUPAC Name]
Acide 3-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: 511.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 227.7±23.6 °C
Index of Refraction: 1.612
Molar Refractivity: 28.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.63
ACD/LogD (pH 7.4): -2.49
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: 108.8±3.0 dyne/cm
Molar Volume: 81.3±3.0 cm3

Click to predict properties on the Chemicalize site


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