ChemSpider 2D Image | 1-(4-Methylphenyl)-1-oxo-2-propanyl 2-[3-(butoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylate | C30H27NO7

1-(4-Methylphenyl)-1-oxo-2-propanyl 2-[3-(butoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylate

  • Molecular FormulaC30H27NO7
  • Average mass513.538 Da
  • Monoisotopic mass513.178772 Da
  • ChemSpider ID2925938

More details:

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

1-(4-Methylphenyl)-1-oxo-2-propanyl 2-[3-(butoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylate [ACD/IUPAC Name]
1-(4-Methylphenyl)-1-oxo-2-propanyl-2-[3-(butoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolincarboxylat [German] [ACD/IUPAC Name]
1-(4-Methylphenyl)-1-oxopropan-2-yl 2-[3-(butoxycarbonyl)phenyl]-1,3-dioxoisoindoline-5-carboxylate
1H-Isoindole-5-carboxylic acid, 2-[3-(butoxycarbonyl)phenyl]-2,3-dihydro-1,3-dioxo-, 1-methyl-2-(4-methylphenyl)-2-oxoethyl ester [ACD/Index Name]
2-[3-(Butoxycarbonyl)phényl]-1,3-dioxo-5-isoindolinecarboxylate de 1-(4-méthylphényl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
1-(4-methylphenyl)-1-oxopropan-2-yl 2-[3-(butoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
1-methyl-2-(4-methylphenyl)-2-oxoethyl 2-[3-(butoxycarbonyl)phenyl]-1,3-dioxoisoindoline-5-carboxylate
2-(3-Butoxycarbonyl-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid 1-methyl-2-oxo-2-p-tolyl-ethyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.3±35.7 °C
Index of Refraction: 1.607
Molar Refractivity: 138.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6798.13
ACD/KOC (pH 5.5): 19267.07
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6798.13
ACD/KOC (pH 7.4): 19267.07
Polar Surface Area: 107 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 401.2±3.0 cm3

Click to predict properties on the Chemicalize site


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