ChemSpider 2D Image | 3-Acetyl-4-hydroxy(~2~H_4_)-2H-chromen-2-one | C11H4D4O4

3-Acetyl-4-hydroxy(2H4)-2H-chromen-2-one

  • Molecular FormulaC11H4D4O4
  • Average mass208.204 Da
  • Monoisotopic mass208.067368 Da
  • ChemSpider ID107439545

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-1-Benzopyran-2-one-5,6,7,8-d4, 3-acetyl-4-hydroxy- [ACD/Index Name]
3-Acetyl-4-hydroxy(2H4)-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-Acetyl-4-hydroxy(2H4)-2H-chromen-2-one [ACD/IUPAC Name]
3-Acétyl-4-hydroxy(2H4)-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 422.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 173.2±22.2 °C
Index of Refraction: 1.634
Molar Refractivity: 50.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.84
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 141.3±3.0 cm3

Click to predict properties on the Chemicalize site


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