ChemSpider 2D Image | (S)-2-acetyl-2-hydroxybutanoate | C6H9O4

(S)-2-acetyl-2-hydroxybutanoate

  • Molecular FormulaC6H9O4
  • Average mass145.134 Da
  • Monoisotopic mass145.050629 Da
  • ChemSpider ID20016031
  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Ethyl-2-hydroxy-3-oxobutanoat [German] [ACD/IUPAC Name]
(2S)-2-Ethyl-2-hydroxy-3-oxobutanoate [ACD/IUPAC Name]
(2S)-2-Éthyl-2-hydroxy-3-oxobutanoate [French] [ACD/IUPAC Name]
(S)-2-acetyl-2-hydroxybutanoate
Butanoic acid, 2-ethyl-2-hydroxy-3-oxo-, ion(1-), (2S)- [ACD/Index Name]
(S)-2-Aceto-2-hydroxybutanoate
(S)-2-acetyl-2-hydroxybutyrate
(S)-2-Hydroxy-2-ethyl-3-oxobutanoate

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

CHEBI:49256 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 290.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.5±6.0 kJ/mol
Flash Point: 143.8±19.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -3.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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