ChemSpider 2D Image | Methyl 5-oxo-5-(2-thienyl)pentanoate | C10H12O3S

Methyl 5-oxo-5-(2-thienyl)pentanoate

  • Molecular FormulaC10H12O3S
  • Average mass212.266 Da
  • Monoisotopic mass212.050720 Da
  • ChemSpider ID21918924

More details:

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

18760-47-9 [RN]
2-Thiophenepentanoic acid, δ-oxo-, methyl ester [ACD/Index Name]
5-Oxo-5-(2-thiényl)pentanoate de méthyle [French] [ACD/IUPAC Name]
5-Oxo-5-(2-thienyl)pentanoic acid methyl ester
Methyl 5-oxo-5-(2-thienyl)pentanoate [ACD/IUPAC Name]
Methyl-5-oxo-5-(2-thienyl)pentanoat [German] [ACD/IUPAC Name]
T5SJ BV3VO1 [WLN]
[18760-47-9] [RN]
2-Thiophenepentanoic acid, d-oxo-, Methyl ester
3-(Boc-amino)cyclopentanone
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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: 333.8±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.7±3.0 kJ/mol
    Flash Point: 155.7±22.3 °C
    Index of Refraction: 1.523
    Molar Refractivity: 55.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.69
    ACD/LogD (pH 5.5): 1.82
    ACD/BCF (pH 5.5): 14.25
    ACD/KOC (pH 5.5): 233.05
    ACD/LogD (pH 7.4): 1.82
    ACD/BCF (pH 7.4): 14.25
    ACD/KOC (pH 7.4): 233.05
    Polar Surface Area: 72 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 42.5±3.0 dyne/cm
    Molar Volume: 180.0±3.0 cm3

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