Found 1 result

Search term: 113394-23-3 (Found by approved synonym)
ChemSpider 2D Image | 6-JOE SE | C27H17Cl2NO11

6-JOE SE

  • Molecular FormulaC27H17Cl2NO11
  • Average mass602.330 Da
  • Monoisotopic mass601.017883 Da
  • ChemSpider ID22504655

More details:

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

1-{[(4',5'-Dichlor-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)carbonyl]oxy}-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
1-{[(4',5'-Dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)carbonyl]oxy}-2,5-pyrrolidinedione [ACD/IUPAC Name]
1-{[(4',5'-Dichloro-3',6'-dihydroxy-2',7'-diméthoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)carbonyl]oxy}-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
113394-23-3 [RN]
2,5-Pyrrolidinedione, 1-[[(4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl)carbonyl]oxy]- [ACD/Index Name]
6-JOE SE
MFCD01311845 [MDL number]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylic acid, 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
(2,5-dioxopyrrolidin-1-yl) 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate
[113394-23-3] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 835.6±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 125.6±3.0 kJ/mol
    Flash Point: 459.2±37.1 °C
    Index of Refraction: 1.754
    Molar Refractivity: 137.5±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 0.26
    ACD/LogD (pH 5.5): 1.79
    ACD/BCF (pH 5.5): 13.41
    ACD/KOC (pH 5.5): 222.76
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 8.98
    ACD/KOC (pH 7.4): 149.24
    Polar Surface Area: 158 Å2
    Polarizability: 54.5±0.5 10-24cm3
    Surface Tension: 99.7±5.0 dyne/cm
    Molar Volume: 336.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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