ChemSpider 2D Image | Diethyl 4-hydroxy-1-oxo-1,4-dihydro-3H-isochromene-3,3-dicarboxylate | C15H16O7

Diethyl 4-hydroxy-1-oxo-1,4-dihydro-3H-isochromene-3,3-dicarboxylate

  • Molecular FormulaC15H16O7
  • Average mass308.283 Da
  • Monoisotopic mass308.089600 Da
  • ChemSpider ID34209251

More details:

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

3,3-diethyl 4-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3,3-dicarboxylate
3H-2-Benzopyran-3,3-dicarboxylic acid, 1,4-dihydro-4-hydroxy-1-oxo-, diethyl ester [ACD/Index Name]
4-Hydroxy-1-oxo-1,4-dihydro-3H-isochromène-3,3-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
95168-26-6 [RN]
Diethyl 4-hydroxy-1-oxo-1,4-dihydro-3H-isochromene-3,3-dicarboxylate [ACD/IUPAC Name]
Diethyl-4-hydroxy-1-oxo-1,4-dihydro-3H-isochromen-3,3-dicarboxylat [German] [ACD/IUPAC Name]
MFCD28125235

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

Density: 1.4±0.1 g/cm3
Boiling Point: 451.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 165.7±22.2 °C
Index of Refraction: 1.553
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.14
ACD/KOC (pH 5.5): 231.80
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.14
ACD/KOC (pH 7.4): 231.79
Polar Surface Area: 99 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 227.5±3.0 cm3

Click to predict properties on the Chemicalize site


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