ChemSpider 2D Image | 4-Hydroxy-3-[(2E)-3-(3-methoxyphenyl)-2-propenoyl]-6-methyl-2H-pyran-2-one | C16H14O5

4-Hydroxy-3-[(2E)-3-(3-methoxyphenyl)-2-propenoyl]-6-methyl-2H-pyran-2-one

  • Molecular FormulaC16H14O5
  • Average mass286.279 Da
  • Monoisotopic mass286.084137 Da
  • ChemSpider ID22824206
  • Double-bond stereo - Double-bond stereo


More details:






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

2H-Pyran-2-one, 4-hydroxy-3-[(2E)-3-(3-methoxyphenyl)-1-oxo-2-propen-1-yl]-6-methyl- [ACD/Index Name]
4-Hydroxy-3-[(2E)-3-(3-methoxyphenyl)-2-propenoyl]-6-methyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(2E)-3-(3-methoxyphenyl)-2-propenoyl]-6-methyl-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-3-[(2E)-3-(3-méthoxyphényl)-2-propenoyl]-6-méthyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
(E)-4-hydroxy-3-(3-(3-methoxyphenyl)acryloyl)-6-methyl-2H-pyran-2-one
1006372-31-1 [RN]
4-HYDROXY-3-[(2E)-3-(3-METHOXYPHENYL)PROP-2-ENOYL]-6-METHYL-2H-PYRAN-2-ONE
4-HYDROXY-3-[(2E)-3-(3-METHOXYPHENYL)PROP-2-ENOYL]-6-METHYLPYRAN-2-ONE
4-hydroxy-3-[3-(3-methoxyphenyl)acryloyl]-6-methyl-2H-pyran-2-one [ACD/IUPAC Name]
C16H14O5

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

Density: 1.3±0.1 g/cm3
Boiling Point: 447.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 165.4±22.2 °C
Index of Refraction: 1.633
Molar Refractivity: 77.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 59.62
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.12
Polar Surface Area: 73 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 215.6±3.0 cm3

Click to predict properties on the Chemicalize site






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