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Search term: DOWDBAIQSCHFPJ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-(4-Acetoxy-3-methoxyphenyl)-3-hydroxy-7,8-dimethoxy-4-oxo-4H-chromene-5,6-diyl diacetate | C24H22O12

2-(4-Acetoxy-3-methoxyphenyl)-3-hydroxy-7,8-dimethoxy-4-oxo-4H-chromene-5,6-diyl diacetate

  • Molecular FormulaC24H22O12
  • Average mass502.424 Da
  • Monoisotopic mass502.111115 Da
  • ChemSpider ID8919365

More details:






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

2-(4-Acetoxy-3-methoxyphenyl)-3-hydroxy-7,8-dimethoxy-4-oxo-4H-chromen-5,6-diyl-diacetat [German] [ACD/IUPAC Name]
2-(4-Acetoxy-3-methoxyphenyl)-3-hydroxy-7,8-dimethoxy-4-oxo-4H-chromene-5,6-diyl diacetate [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5,6-bis(acetyloxy)-2-[4-(acetyloxy)-3-methoxyphenyl]-3-hydroxy-7,8-dimethoxy- [ACD/Index Name]
Diacétate de 2-(4-acétoxy-3-méthoxyphényl)-3-hydroxy-7,8-diméthoxy-4-oxo-4H-chromène-5,6-diyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 221.8±25.0 °C
Index of Refraction: 1.582
Molar Refractivity: 119.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.03
ACD/KOC (pH 5.5): 217.00
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 4.27
ACD/KOC (pH 7.4): 71.04
Polar Surface Area: 153 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 359.1±3.0 cm3

Click to predict properties on the Chemicalize site






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