ChemSpider 2D Image | 7-(Carboxyethynyl)-1-benzothiophene-2-carboxylic acid | C12H6O4S

7-(Carboxyethynyl)-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC12H6O4S
  • Average mass246.239 Da
  • Monoisotopic mass245.998672 Da
  • ChemSpider ID85302081

More details:

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

7-(Carboxyethinyl)-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
7-(Carboxyethynyl)-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-(carboxyéthynyl)-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 7-(2-carboxyethynyl)- [ACD/Index 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: 558.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 291.3±28.2 °C
Index of Refraction: 1.757
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 94.6±5.0 dyne/cm
Molar Volume: 151.8±5.0 cm3

Click to predict properties on the Chemicalize site


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