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Search term: 65323180 (Found by CSID)
ChemSpider 2D Image | azacoccone C | C13H15NO6

azacoccone C

  • Molecular FormulaC13H15NO6
  • Average mass281.261 Da
  • Monoisotopic mass281.089935 Da
  • ChemSpider ID65323180

More details:

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

2H-Isoindole-2-propanoic acid, 1,3-dihydro-4,5,6-trihydroxy-7-methyl-1-oxo-, methyl ester [ACD/Index Name]
3-(4,5,6-Trihydroxy-7-méthyl-1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
azacoccone C
Methyl 3-(4,5,6-trihydroxy-7-methyl-1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(4,5,6-trihydroxy-7-methyl-1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoat [German] [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: 587.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 308.9±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.96
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 45.14
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 32.77
Polar Surface Area: 107 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 191.7±3.0 cm3

Click to predict properties on the Chemicalize site


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