ChemSpider 2D Image | 7-(2-Ethylbutyl)-1H-isochromeno[6,5,4-def]isoquinoline-1,3,6,8(7H)-tetrone | C20H17NO5

7-(2-Ethylbutyl)-1H-isochromeno[6,5,4-def]isoquinoline-1,3,6,8(7H)-tetrone

  • Molecular FormulaC20H17NO5
  • Average mass351.353 Da
  • Monoisotopic mass351.110687 Da
  • ChemSpider ID30659370

More details:

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

1H-2-Benzopyrano[6,5,4-def]isoquinoline-1,3,6,8(7H)-tetrone, 7-(2-ethylbutyl)- [ACD/Index Name]
7-(2-Ethylbutyl)-1H-isochromeno[6,5,4-def]isochinolin-1,3,6,8(7H)-tetron [German] [ACD/IUPAC Name]
7-(2-Éthylbutyl)-1H-isochroméno[6,5,4-def]isoquinoléine-1,3,6,8(7H)-tétrone [French] [ACD/IUPAC Name]
7-(2-Ethylbutyl)-1H-isochromeno[6,5,4-def]isoquinoline-1,3,6,8(7H)-tetrone [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: 573.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.6±25.4 °C
Index of Refraction: 1.651
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.60
ACD/KOC (pH 5.5): 633.47
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.60
ACD/KOC (pH 7.4): 633.47
Polar Surface Area: 81 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 253.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement