ChemSpider 2D Image | Ethyl 2-amino-4-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate | C24H29NO8

Ethyl 2-amino-4-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

  • Molecular FormulaC24H29NO8
  • Average mass459.489 Da
  • Monoisotopic mass459.189331 Da
  • ChemSpider ID22751856

More details:

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

2-Amino-4-(4,7-diméthoxy-6-propyl-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tétrahydro-4H-chromène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-3-carboxylic acid, 2-amino-4-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-5-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-amino-4-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-amino-4-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-carboxylat [German] [ACD/IUPAC Name]
2-Amino-4-(4,7-dimethoxy-6-propyl-benzo[1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylic acid ethyl ester
ethyl 2-amino-4-(4,7-dimethoxy-6-propyl(2H-benzo[d]1,3-dioxolan-5-yl))-5-oxo-4H-6,7,8-trihydrochromene-3-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 608.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 213.3±27.8 °C
Index of Refraction: 1.593
Molar Refractivity: 117.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 107.06
ACD/KOC (pH 5.5): 984.96
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.92
ACD/KOC (pH 7.4): 992.84
Polar Surface Area: 116 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 345.6±5.0 cm3

Click to predict properties on the Chemicalize site


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