ChemSpider 2D Image | 2-Methoxy-4'-(methylsulfonyl)-3-biphenylcarboxylic acid | C15H14O5S

2-Methoxy-4'-(methylsulfonyl)-3-biphenylcarboxylic acid

  • Molecular FormulaC15H14O5S
  • Average mass306.334 Da
  • Monoisotopic mass306.056183 Da
  • ChemSpider ID26522963

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 2-methoxy-4'-(methylsulfonyl)- [ACD/Index Name]
2-Methoxy-4'-(methylsulfonyl)-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
2-Methoxy-4'-(methylsulfonyl)-3-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 2-méthoxy-4'-(méthylsulfonyl)-3-biphénylcarboxylique [French] [ACD/IUPAC Name]
1261934-37-5 [RN]
2-Methoxy-3-(4-methylsulfonylphenyl)benzoic acid
2-Methoxy-4'-(methylsulfonyl)-[1,1'-biphenyl]-3-carboxylic acid
4'-(Methanesulfonyl)-2-methoxy[1,1'-biphenyl]-3-carboxylic acid
YB-2596

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

Density: 1.3±0.1 g/cm3
Boiling Point: 515.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 265.3±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.31
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 233.0±3.0 cm3

Click to predict properties on the Chemicalize site


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