ChemSpider 2D Image | 4-(2-Carboxyphenyl)-2-phenyl-3-thiophenecarboxylic acid | C18H12O4S

4-(2-Carboxyphenyl)-2-phenyl-3-thiophenecarboxylic acid

  • Molecular FormulaC18H12O4S
  • Average mass324.350 Da
  • Monoisotopic mass324.045624 Da
  • ChemSpider ID57460120

More details:

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

3-Thiophenecarboxylic acid, 4-(2-carboxyphenyl)-2-phenyl- [ACD/Index Name]
4-(2-Carboxyphenyl)-2-phenyl-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-(2-Carboxyphenyl)-2-phenyl-3-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-(2-carboxyphényl)-2-phényl-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
4-(2-Carboxyphenyl)-2-phenylthiophene-3-carboxylic acid
87694-31-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 449.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 225.8±27.3 °C
Index of Refraction: 1.671
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.62
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 234.5±3.0 cm3

Click to predict properties on the Chemicalize site


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