ChemSpider 2D Image | [2-Methyl-3-(methylsulfanyl)-1-benzofuran-5-yl]acetic acid | C12H12O3S

[2-Methyl-3-(methylsulfanyl)-1-benzofuran-5-yl]acetic acid

  • Molecular FormulaC12H12O3S
  • Average mass236.287 Da
  • Monoisotopic mass236.050720 Da
  • ChemSpider ID21126088

More details:

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

[2-Methyl-3-(methylsulfanyl)-1-benzofuran-5-yl]acetic acid [ACD/IUPAC Name]
[2-Methyl-3-(methylsulfanyl)-1-benzofuran-5-yl]essigsäure [German] [ACD/IUPAC Name]
5-Benzofuranacetic acid, 2-methyl-3-(methylthio)- [ACD/Index Name]
Acide [2-méthyl-3-(méthylsulfanyl)-1-benzofuran-5-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: 402.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 196.9±28.7 °C
Index of Refraction: 1.642
Molar Refractivity: 65.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 8.90
ACD/KOC (pH 5.5): 71.41
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 76 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 179.8±5.0 cm3

Click to predict properties on the Chemicalize site


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