ChemSpider 2D Image | (7-Methoxy-2-oxo-2H-chromen-4-yl)methyl 6-chloro-3-chromanecarboxylate | C21H17ClO6

(7-Methoxy-2-oxo-2H-chromen-4-yl)methyl 6-chloro-3-chromanecarboxylate

  • Molecular FormulaC21H17ClO6
  • Average mass400.809 Da
  • Monoisotopic mass400.071381 Da
  • ChemSpider ID22560986

More details:

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

(7-Methoxy-2-oxo-2H-chromen-4-yl)methyl 6-chloro-3-chromanecarboxylate [ACD/IUPAC Name]
(7-Methoxy-2-oxo-2H-chromen-4-yl)methyl-6-chlor-3-chromancarboxylat [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3-carboxylic acid, 6-chloro-3,4-dihydro-, (7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl ester [ACD/Index Name]
6-Chloro-3-chromanecarboxylate de (7-méthoxy-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: 590.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 223.5±29.1 °C
Index of Refraction: 1.603
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1285.42
ACD/KOC (pH 5.5): 5848.63
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1285.42
ACD/KOC (pH 7.4): 5848.63
Polar Surface Area: 71 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 292.0±3.0 cm3

Click to predict properties on the Chemicalize site


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