ChemSpider 2D Image | 2-[4-Methoxy(3,5-~2~H_2_)phenyl](3,3-~2~H_2_)-2,3-dihydro-4H-chromen-4-one | C16H10D4O3

2-[4-Methoxy(3,5-2H2)phenyl](3,3-2H2)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC16H10D4O3
  • Average mass258.305 Da
  • Monoisotopic mass258.119415 Da
  • ChemSpider ID9428942

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[4-Methoxy(3,5-2H2)phenyl](3,3-2H2)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-[4-Methoxy(3,5-2H2)phenyl](3,3-2H2)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
2-[4-Méthoxy(3,5-2H2)phényl](3,3-2H2)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one-3-d, 2,3-dihydro-3-d-2-(4-methoxyphenyl-3,5-d2)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 421.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 200.7±15.1 °C
Index of Refraction: 1.587
Molar Refractivity: 71.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.51
ACD/KOC (pH 5.5): 1080.86
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.51
ACD/KOC (pH 7.4): 1080.86
Polar Surface Area: 36 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 212.0±3.0 cm3

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