ChemSpider 2D Image | [5,7-Dimethyl-3-(methylsulfanyl)-1-benzofuran-2-yl]acetic acid | C13H14O3S

[5,7-Dimethyl-3-(methylsulfanyl)-1-benzofuran-2-yl]acetic acid

  • Molecular FormulaC13H14O3S
  • Average mass250.314 Da
  • Monoisotopic mass250.066360 Da
  • ChemSpider ID24740475

More details:

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

[5,7-Dimethyl-3-(methylsulfanyl)-1-benzofuran-2-yl]acetic acid [ACD/IUPAC Name]
[5,7-Dimethyl-3-(methylsulfanyl)-1-benzofuran-2-yl]essigsäure [German] [ACD/IUPAC Name]
2-Benzofuranacetic acid, 5,7-dimethyl-3-(methylthio)- [ACD/Index Name]
Acide [5,7-diméthyl-3-(méthylsulfanyl)-1-benzofuran-2-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 420.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 208.0±28.7 °C
Index of Refraction: 1.630
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 6.21
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 195.6±5.0 cm3

Click to predict properties on the Chemicalize site


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