ChemSpider 2D Image | Methyl 6,7-dihydroxy-2-oxo-2H-chromene-3-carboxylate | C11H8O6

Methyl 6,7-dihydroxy-2-oxo-2H-chromene-3-carboxylate

  • Molecular FormulaC11H8O6
  • Average mass236.178 Da
  • Monoisotopic mass236.032089 Da
  • ChemSpider ID57454107

More details:

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

2H-1-Benzopyran-3-carboxylic acid, 6,7-dihydroxy-2-oxo-, methyl ester [ACD/Index Name]
6,7-Dihydroxy-2-oxo-2H-chromène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6,7-dihydroxy-2-oxo-2H-chromene-3-carboxylate [ACD/IUPAC Name]
Methyl-6,7-dihydroxy-2-oxo-2H-chromen-3-carboxylat [German] [ACD/IUPAC Name]
20759-61-9 [RN]
Methyl 6,7-dihydroxy-2-oxo-2H-1-benzopyran-3-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 517.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 210.5±23.6 °C
Index of Refraction: 1.649
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.67
ACD/KOC (pH 5.5): 134.44
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 2.40
ACD/KOC (pH 7.4): 48.35
Polar Surface Area: 93 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 149.6±3.0 cm3

Click to predict properties on the Chemicalize site


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