ChemSpider 2D Image | [4-Hydroxy-7-(3-methyl-2-buten-1-yl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]acetic acid | C15H16O5

[4-Hydroxy-7-(3-methyl-2-buten-1-yl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]acetic acid

  • Molecular FormulaC15H16O5
  • Average mass276.284 Da
  • Monoisotopic mass276.099762 Da
  • ChemSpider ID78435166

More details:

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

[4-Hydroxy-7-(3-methyl-2-buten-1-yl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]acetic acid [ACD/IUPAC Name]
[4-Hydroxy-7-(3-methyl-2-buten-1-yl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]essigsäure [German] [ACD/IUPAC Name]
1-Isobenzofuranacetic acid, 1,3-dihydro-4-hydroxy-7-(3-methyl-2-buten-1-yl)-3-oxo- [ACD/Index Name]
Acide [4-hydroxy-7-(3-méthyl-2-butén-1-yl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]acétique [French] [ACD/IUPAC Name]
Emefuranone AB

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 201.1±23.6 °C
Index of Refraction: 1.590
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 31.97
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 212.4±3.0 cm3

Click to predict properties on the Chemicalize site


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