ChemSpider 2D Image | 4-[(~2~H_3_)Methyloxy]-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one | C14H11D3O3

4-[(2H3)Methyloxy]-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC14H11D3O3
  • Average mass233.278 Da
  • Monoisotopic mass233.113129 Da
  • ChemSpider ID58783821
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

2H-Pyran-2-one, 5,6-dihydro-4-(methyl-d3-oxy)-6-[(E)-2-phenylethenyl]- [ACD/Index Name]
4-[(2H3)Methyloxy]-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-[(2H3)Methyloxy]-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
4-[(2H3)Méthyloxy]-6-[(E)-2-phénylvinyl]-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 432.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 184.6±23.3 °C
Index of Refraction: 1.565
Molar Refractivity: 64.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.03
ACD/KOC (pH 5.5): 815.90
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.03
ACD/KOC (pH 7.4): 815.90
Polar Surface Area: 36 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 199.4±5.0 cm3

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