ChemSpider 2D Image | [(3-Formyl-2H-chromen-4-yl)sulfanyl]acetic acid | C12H10O4S

[(3-Formyl-2H-chromen-4-yl)sulfanyl]acetic acid

  • Molecular FormulaC12H10O4S
  • Average mass250.270 Da
  • Monoisotopic mass250.029984 Da
  • ChemSpider ID62285783

More details:

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

[(3-Formyl-2H-chromen-4-yl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(3-Formyl-2H-chromen-4-yl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(3-formyl-2H-1-benzopyran-4-yl)thio]- [ACD/Index Name]
Acide [(3-formyl-2H-chromén-4-yl)sulfanyl]acétique [French] [ACD/IUPAC Name]
[(3-formyl-2H-chromen-4-yl)thio]acetic acid
2200388-64-1 [RN]
MFCD31557149

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 483.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.9±3.0 kJ/mol
    Flash Point: 246.4±28.7 °C
    Index of Refraction: 1.650
    Molar Refractivity: 63.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.02
    ACD/LogD (pH 5.5): 0.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.11
    ACD/LogD (pH 7.4): -1.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 65.6±5.0 dyne/cm
    Molar Volume: 174.6±5.0 cm3

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