ChemSpider 2D Image | 5-[(1,3-Dioxo-1,3-dihydro-2-benzofuran-5-yl)ethynyl]-2-methyl-3-furoic acid | C16H8O6

5-[(1,3-Dioxo-1,3-dihydro-2-benzofuran-5-yl)ethynyl]-2-methyl-3-furoic acid

  • Molecular FormulaC16H8O6
  • Average mass296.231 Da
  • Monoisotopic mass296.032074 Da
  • ChemSpider ID98864296

More details:

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

3-Furancarboxylic acid, 5-[2-(1,3-dihydro-1,3-dioxo-5-isobenzofuranyl)ethynyl]-2-methyl- [ACD/Index Name]
5-[(1,3-Dioxo-1,3-dihydro-2-benzofuran-5-yl)ethinyl]-2-methyl-3-furoesäure [German] [ACD/IUPAC Name]
5-[(1,3-Dioxo-1,3-dihydro-2-benzofuran-5-yl)ethynyl]-2-methyl-3-furoic acid [ACD/IUPAC Name]
Acide 5-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)éthynyl]-2-méthyl-3-furoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 581.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.2±30.1 °C
Index of Refraction: 1.682
Molar Refractivity: 71.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 3.49
ACD/KOC (pH 5.5): 32.54
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 94 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 82.3±5.0 dyne/cm
Molar Volume: 188.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement