Found 9 results

Search term: MF = 'C_{31}H_{27}NO_{9}'
ChemSpider 2D Image | Diethyl 5-[({[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}acetyl)amino]isophthalate | C31H27NO9

Diethyl 5-[({[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}acetyl)amino]isophthalate

  • Molecular FormulaC31H27NO9
  • Average mass557.547 Da
  • Monoisotopic mass557.168579 Da
  • ChemSpider ID10924508

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[2-[[(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)carbonyl]oxy]acetyl]amino]-, diethyl ester [ACD/Index Name]
5-[(2-{[(3-Méthyl-4-oxo-2-phényl-4H-chromén-8-yl)carbonyl]oxy}acétyl)amino]isophtalate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-[({[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}acetyl)amino]isophthalate [ACD/IUPAC Name]
Diethyl-5-[({[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}acetyl)amino]isophthalat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 776.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.2±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8416.78
ACD/KOC (pH 5.5): 22449.63
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8416.35
ACD/KOC (pH 7.4): 22448.49
Polar Surface Area: 134 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 421.4±3.0 cm3

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