ChemSpider 2D Image | (7-Hydroxy-8-methyl-2-oxo-2H-chromen-4-yl)methyl 1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate | C21H16O7

(7-Hydroxy-8-methyl-2-oxo-2H-chromen-4-yl)methyl 1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate

  • Molecular FormulaC21H16O7
  • Average mass380.348 Da
  • Monoisotopic mass380.089600 Da
  • ChemSpider ID21767250

More details:

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

(7-Hydroxy-8-methyl-2-oxo-2H-chromen-4-yl)methyl 1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate [ACD/IUPAC Name]
(7-Hydroxy-8-methyl-2-oxo-2H-chromen-4-yl)methyl-1-oxo-3,4-dihydro-1H-isochromen-3-carboxylat [German] [ACD/IUPAC Name]
1H-2-Benzopyran-3-carboxylic acid, 3,4-dihydro-1-oxo-, (7-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl ester [ACD/Index Name]
1-Oxo-3,4-dihydro-1H-isochromène-3-carboxylate de (7-hydroxy-8-méthyl-2-oxo-2H-chromén-4-yl)méthyle [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: 663.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 240.2±25.0 °C
Index of Refraction: 1.634
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 202.12
ACD/KOC (pH 5.5): 1554.56
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 165.33
ACD/KOC (pH 7.4): 1271.63
Polar Surface Area: 99 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 267.2±3.0 cm3

Click to predict properties on the Chemicalize site


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