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Search term: CWCYSIIDJAVQSK-ZCFIWIBFSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | (3R)-3-Hydroxy-3-methyl-5-oxopentanoate | C6H9O4

(3R)-3-Hydroxy-3-methyl-5-oxopentanoate

  • Molecular FormulaC6H9O4
  • Average mass145.134 Da
  • Monoisotopic mass145.050629 Da
  • ChemSpider ID26949386
  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3-Hydroxy-3-methyl-5-oxopentanoat [German] [ACD/IUPAC Name]
(3R)-3-Hydroxy-3-methyl-5-oxopentanoate [ACD/IUPAC Name]
(3R)-3-Hydroxy-3-méthyl-5-oxopentanoate [French] [ACD/IUPAC Name]
Pentanoic acid, 3-hydroxy-3-methyl-5-oxo-, ion(1-), (3R)- [ACD/Index Name]
Mevaldate

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

Density:
Boiling Point: 324.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.6±6.0 kJ/mol
Flash Point: 164.0±23.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
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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