Found 16 results

Search term: MF = 'C_{9}H_{13}BO_{4}S'
ChemSpider 2D Image | [2-(2-Ethoxy-2-oxoethyl)-5-methyl-3-thienyl]boronic acid | C9H13BO4S

[2-(2-Ethoxy-2-oxoethyl)-5-methyl-3-thienyl]boronic acid

  • Molecular FormulaC9H13BO4S
  • Average mass228.073 Da
  • Monoisotopic mass228.062759 Da
  • ChemSpider ID110770046

More details:

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

[2-(2-Ethoxy-2-oxoethyl)-5-methyl-3-thienyl]boronic acid [ACD/IUPAC Name]
[2-(2-Ethoxy-2-oxoethyl)-5-methyl-3-thienyl]borsäure [German] [ACD/IUPAC Name]
2-Thiopheneacetic acid, 3-borono-5-methyl-, ethyl ester [ACD/Index Name]
Acide [2-(2-éthoxy-2-oxoéthyl)-5-méthyl-3-thiényl]boronique [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: 389.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 189.3±30.7 °C
Index of Refraction: 1.533
Molar Refractivity: 56.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.24
ACD/KOC (pH 5.5): 255.87
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.46
ACD/KOC (pH 7.4): 227.78
Polar Surface Area: 95 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 181.9±5.0 cm3

Click to predict properties on the Chemicalize site


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