Found 762 results

Search term: MF = 'C_{11}H_{7}NO_{2}S'
ChemSpider 2D Image | 7-isothiocyanato-4-methylchromen-2-one | C11H7NO2S

7-isothiocyanato-4-methylchromen-2-one

  • Molecular FormulaC11H7NO2S
  • Average mass217.244 Da
  • Monoisotopic mass217.019745 Da
  • ChemSpider ID21329963

More details:

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

2H-1-Benzopyran-2-one, 7-isothiocyanato-4-methyl- [ACD/Index Name]
74802-03-2 [RN]
7-Isothiocyanato-4-methyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-Isothiocyanato-4-methyl-2H-chromen-2-one [ACD/IUPAC Name]
7-Isothiocyanato-4-méthyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
7-isothiocyanato-4-methylchromen-2-one
4-methyl-2-oxochromen-7-isothiocyanate
VS-06610

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

MFCD09971937 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 406.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.9±3.0 kJ/mol
    Flash Point: 199.9±27.3 °C
    Index of Refraction: 1.636
    Molar Refractivity: 60.6±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.64
    ACD/LogD (pH 5.5): 3.64
    ACD/BCF (pH 5.5): 345.10
    ACD/KOC (pH 5.5): 2281.75
    ACD/LogD (pH 7.4): 3.64
    ACD/BCF (pH 7.4): 345.10
    ACD/KOC (pH 7.4): 2281.75
    Polar Surface Area: 71 Å2
    Polarizability: 24.0±0.5 10-24cm3
    Surface Tension: 44.1±7.0 dyne/cm
    Molar Volume: 169.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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