ChemSpider 2D Image | 3-Hydroxy-4-oxo-2-butenoic acid | C4H4O4

3-Hydroxy-4-oxo-2-butenoic acid

  • Molecular FormulaC4H4O4
  • Average mass116.072 Da
  • Monoisotopic mass116.010956 Da
  • ChemSpider ID28676178

More details:

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

2-Butenoic acid, 3-hydroxy-4-oxo- [ACD/Index Name]
3-Hydroxy-4-oxo-2-butenoic acid [ACD/IUPAC Name]
3-Hydroxy-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
114828-86-3 [RN]
3-Hydroxy-4-oxobut-2-enoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 350.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.9±6.0 kJ/mol
Flash Point: 180.0±24.4 °C
Index of Refraction: 1.526
Molar Refractivity: 23.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 77.4±3.0 cm3

Click to predict properties on the Chemicalize site


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