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Search term: QBHCALSNLQCVBQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(2-Ethoxy-2-oxoethyl)-3,5-dihydroxyphenyl 3,4-dihydroxybenzoate | C17H16O8

2-(2-Ethoxy-2-oxoethyl)-3,5-dihydroxyphenyl 3,4-dihydroxybenzoate

  • Molecular FormulaC17H16O8
  • Average mass348.304 Da
  • Monoisotopic mass348.084503 Da
  • ChemSpider ID48058242

More details:

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

2-(2-Ethoxy-2-oxoethyl)-3,5-dihydroxyphenyl 3,4-dihydroxybenzoate [ACD/IUPAC Name]
2-(2-Ethoxy-2-oxoethyl)-3,5-dihydroxyphenyl-3,4-dihydroxybenzoat [German] [ACD/IUPAC Name]
3,4-Dihydroxybenzoate de 2-(2-éthoxy-2-oxoéthyl)-3,5-dihydroxyphényle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[(3,4-dihydroxybenzoyl)oxy]-4,6-dihydroxy-, ethyl ester [ACD/Index Name]
[2-(2-ethoxy-2-oxoethyl)-3,5-dihydroxyphenyl] 3,4-dihydroxybenzoate
1404192-74-0 [RN]
Desmethyl Jaboticabin Ethyl Carboxylate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 641.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.1±3.0 kJ/mol
    Flash Point: 236.6±25.0 °C
    Index of Refraction: 1.650
    Molar Refractivity: 86.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 2.20
    ACD/BCF (pH 5.5): 27.72
    ACD/KOC (pH 5.5): 374.20
    ACD/LogD (pH 7.4): 1.94
    ACD/BCF (pH 7.4): 15.01
    ACD/KOC (pH 7.4): 202.62
    Polar Surface Area: 134 Å2
    Polarizability: 34.1±0.5 10-24cm3
    Surface Tension: 71.4±3.0 dyne/cm
    Molar Volume: 235.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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