ChemSpider 2D Image | (4E)-6-[4-(4-Carboxybutoxy)-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methyl-4-hexenoic acid | C22H28O8

(4E)-6-[4-(4-Carboxybutoxy)-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methyl-4-hexenoic acid

  • Molecular FormulaC22H28O8
  • Average mass420.453 Da
  • Monoisotopic mass420.178406 Da
  • ChemSpider ID29787554

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-6-[4-(4-Carboxybutoxy)-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methyl-4-hexenoic acid [ACD/IUPAC Name]
(4E)-6-[4-(4-Carboxybutoxy)-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methyl-4-hexensäure [German] [ACD/IUPAC Name]
4-Hexenoic acid, 6-[4-(4-carboxybutoxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl]-4-methyl-, (4E)- [ACD/Index Name]
Acide (4E)-6-[4-(4-carboxybutoxy)-6-méthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-méthyl-4-hexénoïque [French] [ACD/IUPAC Name]
(4E)-6-[4-(4-Carboxybutoxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl]-4-methyl-4-hexenoic acid
(4E)-6-[4-(4-Carboxybutoxy)-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
(E)-6-[4-(4-carboxybutoxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
1104196-08-8 [RN]
931407-27-1 [RN]
MPAC
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 704.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.2±3.0 kJ/mol
    Flash Point: 244.0±26.4 °C
    Index of Refraction: 1.559
    Molar Refractivity: 108.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 1.45
    ACD/BCF (pH 5.5): 2.85
    ACD/KOC (pH 5.5): 23.55
    ACD/LogD (pH 7.4): -1.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 119 Å2
    Polarizability: 42.8±0.5 10-24cm3
    Surface Tension: 52.6±3.0 dyne/cm
    Molar Volume: 334.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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