Found 3 results

Search term: HQIZYPQNJWENRT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5S)-5-Hydroxy-3-methyl-2(5H)-furanone | C5H6O3

(5S)-5-Hydroxy-3-methyl-2(5H)-furanone

  • Molecular FormulaC5H6O3
  • Average mass114.099 Da
  • Monoisotopic mass114.031693 Da
  • ChemSpider ID61489995

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-Hydroxy-3-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-Hydroxy-3-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-Hydroxy-3-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-hydroxy-3-methyl-, (5S)- [ACD/Index Name]
1932127-71-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 328.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.1±6.0 kJ/mol
Flash Point: 163.2±19.3 °C
Index of Refraction: 1.529
Molar Refractivity: 26.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.38
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.36
Polar Surface Area: 47 Å2
Polarizability: 10.3±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 84.5±3.0 cm3

Click to predict properties on the Chemicalize site


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