ChemSpider 2D Image | Methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethyl-2H-chromen-6-yl)methyl]-4-methoxy-5-oxo-2,5-dihydro-2-furancarboxylate | C25H24O8

Methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethyl-2H-chromen-6-yl)methyl]-4-methoxy-5-oxo-2,5-dihydro-2-furancarboxylate

  • Molecular FormulaC25H24O8
  • Average mass452.453 Da
  • Monoisotopic mass452.147125 Da
  • ChemSpider ID22369804

More details:

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

2-Furancarboxylic acid, 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethyl-2H-1-benzopyran-6-yl)methyl]-2,5-dihydro-4-methoxy-5-oxo-, methyl ester [ACD/Index Name]
3-(3,4-Dihydroxyphényl)-2-[(2,2-diméthyl-2H-chromén-6-yl)méthyl]-4-méthoxy-5-oxo-2,5-dihydro-2-furanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethyl-2H-chromen-6-yl)methyl]-4-methoxy-5-oxo-2,5-dihydro-2-furancarboxylate [ACD/IUPAC Name]
Methyl-3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethyl-2H-chromen-6-yl)methyl]-4-methoxy-5-oxo-2,5-dihydro-2-furancarboxylat [German] [ACD/IUPAC Name]
Compound NP-006932
Methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 684.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 235.0±25.0 °C
Index of Refraction: 1.647
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 496.49
ACD/KOC (pH 5.5): 2960.21
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 491.87
ACD/KOC (pH 7.4): 2932.66
Polar Surface Area: 112 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 322.4±5.0 cm3

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