ChemSpider 2D Image | 3-Methoxy-5-(3-thienyl)benzoic acid | C12H10O3S

3-Methoxy-5-(3-thienyl)benzoic acid

  • Molecular FormulaC12H10O3S
  • Average mass234.271 Da
  • Monoisotopic mass234.035065 Da
  • ChemSpider ID28534826

More details:

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

3-Methoxy-5-(3-thienyl)benzoesäure [German] [ACD/IUPAC Name]
3-Methoxy-5-(3-thienyl)benzoic acid [ACD/IUPAC Name]
Acide 3-méthoxy-5-(3-thiényl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-methoxy-5-(3-thienyl)- [ACD/Index Name]
[1261969-21-4] [RN]
1261969-21-4 [RN]
3-Methoxy-5-(thiophen-3-yl)benzoic acid
3-Methoxy-5-(thiophen-3-yl)benzoicacid
5-METHOXY-3-(THIOPHEN-3-YL)BENZOIC ACID
MFCD18318893 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 391.1±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.6±3.0 kJ/mol
    Flash Point: 190.3±25.1 °C
    Index of Refraction: 1.612
    Molar Refractivity: 62.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.49
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 6.82
    ACD/KOC (pH 5.5): 53.10
    ACD/LogD (pH 7.4): 0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.75
    Polar Surface Area: 75 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 50.8±3.0 dyne/cm
    Molar Volume: 180.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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