ChemSpider 2D Image | (4E)-2-(1,3-Dithiolan-2-ylidene)-5-(3-methoxyphenyl)-3-oxo-4-pentenoic acid | C15H14O4S2

(4E)-2-(1,3-Dithiolan-2-ylidene)-5-(3-methoxyphenyl)-3-oxo-4-pentenoic acid

  • Molecular FormulaC15H14O4S2
  • Average mass322.399 Da
  • Monoisotopic mass322.033356 Da
  • ChemSpider ID35471208

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-2-(1,3-Dithiolan-2-yliden)-5-(3-methoxyphenyl)-3-oxo-4-pentensäure [German] [ACD/IUPAC Name]
(4E)-2-(1,3-Dithiolan-2-ylidene)-5-(3-methoxyphenyl)-3-oxo-4-pentenoic acid [ACD/IUPAC Name]
4-Pentenoic acid, 2-(1,3-dithiolan-2-ylidene)-5-(3-methoxyphenyl)-3-oxo-, (4E)- [ACD/Index Name]
Acide (4E)-2-(1,3-dithiolan-2-ylidène)-5-(3-méthoxyphényl)-3-oxo-4-penténoïque [French] [ACD/IUPAC Name]
(E)-2-(1,3-dithiolan-2-ylidene)-5-(3-methoxyphenyl)-3-oxopent-4-enoic acid
1679379-52-2 [RN]
2-[1,3]Dithiolan-2-ylidene-5-(3-methoxy-phenyl)-3-oxo-pent-4-enoic acid
MFCD18447073

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 508.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.0±3.0 kJ/mol
    Flash Point: 261.4±30.1 °C
    Index of Refraction: 1.682
    Molar Refractivity: 87.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.27
    ACD/LogD (pH 5.5): -0.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 114 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 64.3±3.0 dyne/cm
    Molar Volume: 230.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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