ChemSpider 2D Image | 1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]ethanone | C13H16O4

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

  • Molecular FormulaC13H16O4
  • Average mass236.264 Da
  • Monoisotopic mass236.104858 Da
  • ChemSpider ID22370317

More details:

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

1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]ethanon [German] [ACD/IUPAC Name]
1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]ethanone [ACD/IUPAC Name]
1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2,3-dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]- [ACD/Index Name]
1-[3-Hydroxy-2-(2-hydroxypropan-2-YL)-2,3-dihydro-1-benzofuran-5-YL]ethanone
Compound NP-012230

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

Density: 1.3±0.1 g/cm3
Boiling Point: 415.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 159.6±22.2 °C
Index of Refraction: 1.585
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.41
ACD/KOC (pH 5.5): 65.35
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.41
ACD/KOC (pH 7.4): 65.35
Polar Surface Area: 67 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 185.3±3.0 cm3

Click to predict properties on the Chemicalize site


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