ChemSpider 2D Image | (2S)-2-Hydroxy-3-oxobutanoic acid | C4H6O4

(2S)-2-Hydroxy-3-oxobutanoic acid

  • Molecular FormulaC4H6O4
  • Average mass118.088 Da
  • Monoisotopic mass118.026611 Da
  • ChemSpider ID24191934

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxy-3-oxobutanoic acid [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-hydroxy-3-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-hydroxy-3-oxo-, (2S)- [ACD/Index Name]
335265-54-8 [RN]
Butanoic acid, 2-hydroxy-3-oxo-, (2S)- (9CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 303.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 63.1±6.0 kJ/mol
Flash Point: 151.6±20.2 °C
Index of Refraction: 1.474
Molar Refractivity: 23.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -3.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
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: 57.9±3.0 dyne/cm
Molar Volume: 84.2±3.0 cm3

Click to predict properties on the Chemicalize site


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