ChemSpider 2D Image | Methyl 3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)-3-(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)propanoate | C31H25NO6

Methyl 3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)-3-(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)propanoate

  • Molecular FormulaC31H25NO6
  • Average mass507.533 Da
  • Monoisotopic mass507.168182 Da
  • ChemSpider ID81418058

More details:

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

1H,5H-Benzo[ij]quinolizine-6-propanoic acid, 2,3-dihydro-β-(7-hydroxy-2-oxo-4-phenyl-2H-1-benzopyran-8-yl)-5-oxo-, methyl ester [ACD/Index Name]
3-(7-Hydroxy-2-oxo-4-phényl-2H-chromén-8-yl)-3-(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoléin-6-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)-3-(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)-3-(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]chinolin-6-yl)propanoat [German] [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: 736.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 398.9±32.9 °C
Index of Refraction: 1.710
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6795.96
ACD/KOC (pH 5.5): 19167.38
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 2886.45
ACD/KOC (pH 7.4): 8140.97
Polar Surface Area: 93 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 355.1±5.0 cm3

Click to predict properties on the Chemicalize site


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