ChemSpider 2D Image | 1-[2-(3-Hydroxy-1-propen-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone | C13H14O3

1-[2-(3-Hydroxy-1-propen-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

  • Molecular FormulaC13H14O3
  • Average mass218.249 Da
  • Monoisotopic mass218.094299 Da
  • ChemSpider ID22370124

More details:






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

1-[2-(3-Hydroxy-1-propen-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanon [German] [ACD/IUPAC Name]
1-[2-(3-Hydroxy-1-propen-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone [ACD/IUPAC Name]
1-[2-(3-Hydroxy-1-propén-2-yl)-2,3-dihydro-1-benzofuran-5-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2,3-dihydro-2-[1-(hydroxymethyl)ethenyl]-5-benzofuranyl]- [ACD/Index Name]
(R)-Bitalin A
1-[2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethan-1-one
1-[2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
35844-67-8 [RN]
66614-28-6 [RN]

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 404.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 157.3±22.2 °C
Index of Refraction: 1.569
Molar Refractivity: 60.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.47
ACD/KOC (pH 5.5): 223.83
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.47
ACD/KOC (pH 7.4): 223.83
Polar Surface Area: 47 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 184.1±3.0 cm3

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