ChemSpider 2D Image | 5-(2,4-Dimethylphenyl)-2-thiophenecarboxylic acid | C13H12O2S

5-(2,4-Dimethylphenyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC13H12O2S
  • Average mass232.298 Da
  • Monoisotopic mass232.055801 Da
  • ChemSpider ID24303028

More details:

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

2-Thiophenecarboxylic acid, 5-(2,4-dimethylphenyl)- [ACD/Index Name]
5-(2,4-Dimethylphenyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(2,4-Dimethylphenyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-(2,4-diméthylphényl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
[1038729-21-3] [RN]
1038729-21-3 [RN]
2-(2,2-Dimethyl-propionylamino)-nicotinic acid
5-(2,4-dimethylphenyl)thiophene-2-carboxylic acid
5-(2,4-Dimethylphenyl)thiophene-2-carboxylicacid
MFCD07375939
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 389.2±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.3±3.0 kJ/mol
    Flash Point: 189.2±24.6 °C
    Index of Refraction: 1.612
    Molar Refractivity: 65.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.56
    ACD/LogD (pH 5.5): 2.34
    ACD/BCF (pH 5.5): 12.24
    ACD/KOC (pH 5.5): 59.77
    ACD/LogD (pH 7.4): 1.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.18
    Polar Surface Area: 66 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 189.3±3.0 cm3

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