ChemSpider 2D Image | 5-Methoxy-4'-(methylsulfanyl)-3-biphenylcarboxylic acid | C15H14O3S

5-Methoxy-4'-(methylsulfanyl)-3-biphenylcarboxylic acid

  • Molecular FormulaC15H14O3S
  • Average mass274.335 Da
  • Monoisotopic mass274.066376 Da
  • ChemSpider ID30997028

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 5-methoxy-4'-(methylthio)- [ACD/Index Name]
5-Methoxy-4'-(methylsulfanyl)-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
5-Methoxy-4'-(methylsulfanyl)-3-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 5-méthoxy-4'-(méthylsulfanyl)-3-biphénylcarboxylique [French] [ACD/IUPAC Name]
1262006-31-4 [RN]
5-METHOXY-3-(4-METHYLTHIOPHENYL)BENZOIC ACID
5-methoxy-4'-(methylsulfanyl)-[1,1'-biphenyl]-3-carboxylic acid
MFCD18320533
YB-0738

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 469.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.2±3.0 kJ/mol
    Flash Point: 238.0±27.3 °C
    Index of Refraction: 1.640
    Molar Refractivity: 76.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 3.21
    ACD/BCF (pH 5.5): 70.08
    ACD/KOC (pH 5.5): 271.14
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 2.50
    ACD/KOC (pH 7.4): 9.67
    Polar Surface Area: 72 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 57.8±5.0 dyne/cm
    Molar Volume: 213.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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