ChemSpider 2D Image | 3-Hydroxy-2-(~2~H_3_)methyl-4H-pyran-4-one | C6H3D3O3

3-Hydroxy-2-(2H3)methyl-4H-pyran-4-one

  • Molecular FormulaC6H3D3O3
  • Average mass129.128 Da
  • Monoisotopic mass129.050522 Da
  • ChemSpider ID48060254

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy-2-(2H3)methyl-4H-pyran-4-on [German] [ACD/IUPAC Name]
3-Hydroxy-2-(2H3)methyl-4H-pyran-4-one [ACD/IUPAC Name]
3-Hydroxy-2-(2H3)méthyl-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 3-hydroxy-2-(methyl-d3)- [ACD/Index Name]
132331-92-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 284.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.8±6.0 kJ/mol
Flash Point: 127.3±20.8 °C
Index of Refraction: 1.561
Molar Refractivity: 30.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.36
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.20
Polar Surface Area: 47 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 93.5±3.0 cm3

Click to predict properties on the Chemicalize site


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