ChemSpider 2D Image | CHEMBRDG-BB 4004636 | C9H10O3S

CHEMBRDG-BB 4004636

  • Molecular FormulaC9H10O3S
  • Average mass198.239 Da
  • Monoisotopic mass198.035065 Da
  • ChemSpider ID21612460

More details:

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

(5-Acetyl-3-thienyl)methyl acetate [ACD/IUPAC Name]
(5-Acetyl-3-thienyl)methyl-acetat [German] [ACD/IUPAC Name]
(5-Acetylthiophen-3-yl)methyl acetate
41908-01-4 [RN]
Acétate de (5-acétyl-3-thiényl)méthyle [French] [ACD/IUPAC Name]
CHEMBRDG-BB 4004636
Ethanone, 1-[4-[(acetyloxy)methyl]-2-thienyl]- [ACD/Index Name]
MFCD08059769 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 313.8±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.5±3.0 kJ/mol
    Flash Point: 143.6±25.1 °C
    Index of Refraction: 1.532
    Molar Refractivity: 50.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.96
    ACD/LogD (pH 5.5): 1.64
    ACD/BCF (pH 5.5): 10.37
    ACD/KOC (pH 5.5): 185.70
    ACD/LogD (pH 7.4): 1.64
    ACD/BCF (pH 7.4): 10.37
    ACD/KOC (pH 7.4): 185.70
    Polar Surface Area: 72 Å2
    Polarizability: 20.1±0.5 10-24cm3
    Surface Tension: 42.5±3.0 dyne/cm
    Molar Volume: 163.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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