ChemSpider 2D Image | (9R)-8,8-Dimethyl-2,10-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2E)-2-methyl-2-butenoate | C19H18O6

(9R)-8,8-Dimethyl-2,10-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC19H18O6
  • Average mass342.343 Da
  • Monoisotopic mass342.110352 Da
  • ChemSpider ID30654978

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de (9R)-8,8-diméthyl-2,10-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromén-9-yle [French] [ACD/IUPAC Name]
(9R)-8,8-Dimethyl-2,10-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(9R)-8,8-Dimethyl-2,10-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (9R)-9,10-dihydro-8,8-dimethyl-2,10-dioxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2E)- [ACD/Index Name]
(2E)?-2-?methyl-2-?Butenoic acid, (9R)?-?9,?10-?dihydro-?8,?8-?dimethyl-?2,?10-?dioxo-?2H,?8H-?benzo[1,?2-?b:3,?4-?b']?dipyran-?9-?yl ester
[(9R)-8,8-dimethyl-2,10-dioxo-9H-pyrano[2,3-f]chromen-9-yl] (E)-2-methylbut-2-enoate
156041-02-0 [RN]
Qianhucoumarin E

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 516.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.9±3.0 kJ/mol
    Flash Point: 228.4±30.2 °C
    Index of Refraction: 1.590
    Molar Refractivity: 88.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.13
    ACD/LogD (pH 5.5): 3.73
    ACD/BCF (pH 5.5): 406.33
    ACD/KOC (pH 5.5): 2564.70
    ACD/LogD (pH 7.4): 3.73
    ACD/BCF (pH 7.4): 406.33
    ACD/KOC (pH 7.4): 2564.70
    Polar Surface Area: 79 Å2
    Polarizability: 34.9±0.5 10-24cm3
    Surface Tension: 52.6±5.0 dyne/cm
    Molar Volume: 260.8±5.0 cm3

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