ChemSpider 2D Image | 5-{[(7-Methoxy-4-oxo-3-phenyl-4H-chromen-2-yl)carbonyl]amino}isophthalic acid | C25H17NO8

5-{[(7-Methoxy-4-oxo-3-phenyl-4H-chromen-2-yl)carbonyl]amino}isophthalic acid

  • Molecular FormulaC25H17NO8
  • Average mass459.404 Da
  • Monoisotopic mass459.095428 Da
  • ChemSpider ID67777404

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[(7-methoxy-4-oxo-3-phenyl-4H-1-benzopyran-2-yl)carbonyl]amino]- [ACD/Index Name]
5-{[(7-Methoxy-4-oxo-3-phenyl-4H-chromen-2-yl)carbonyl]amino}isophthalic acid [ACD/IUPAC Name]
5-{[(7-Methoxy-4-oxo-3-phenyl-4H-chromen-2-yl)carbonyl]amino}isophthalsäure [German] [ACD/IUPAC Name]
Acide 5-{[(7-méthoxy-4-oxo-3-phényl-4H-chromén-2-yl)carbonyl]amino}isophtalique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 773.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 421.3±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.94
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 75.5±3.0 dyne/cm
Molar Volume: 304.9±3.0 cm3

Click to predict properties on the Chemicalize site


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