ChemSpider 2D Image | 2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indol]-1'(3'H)-yl)ethyl octanoate | C28H34N2O5

2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indol]-1'(3'H)-yl)ethyl octanoate

  • Molecular FormulaC28H34N2O5
  • Average mass478.580 Da
  • Monoisotopic mass478.246765 Da
  • ChemSpider ID28945607

More details:






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

2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indol]-1'(3'H)-yl)ethyl octanoate [ACD/IUPAC Name]
2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indol]-1'(3'H)-yl)ethyl-octanoat [German] [ACD/IUPAC Name]
Octanoate de 2-(3',3'-diméthyl-6-nitrospiro[chromene-2,2'-indol]-1'(3'H)-yl)éthyle [French] [ACD/IUPAC Name]
Octanoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 607.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.1±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.68
ACD/LogD (pH 5.5): 8.03
ACD/BCF (pH 5.5): 751720.13
ACD/KOC (pH 5.5): 559264.50
ACD/LogD (pH 7.4): 8.03
ACD/BCF (pH 7.4): 751923.25
ACD/KOC (pH 7.4): 559415.56
Polar Surface Area: 85 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 392.5±5.0 cm3

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