ChemSpider 2D Image | Ethyl 4-(8'-nitro-1,3-dioxo-2',3',4',4a'-tetrahydro-1H,1'H,6'H-spiro[isoquinoline-4,5'-pyrido[1,2-a]quinolin]-2(3H)-yl)benzoate | C30H27N3O6

Ethyl 4-(8'-nitro-1,3-dioxo-2',3',4',4a'-tetrahydro-1H,1'H,6'H-spiro[isoquinoline-4,5'-pyrido[1,2-a]quinolin]-2(3H)-yl)benzoate

  • Molecular FormulaC30H27N3O6
  • Average mass525.552 Da
  • Monoisotopic mass525.190002 Da
  • ChemSpider ID3496332

More details:

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

Benzoic acid, 4-(2,3,4,4a-tetrahydro-8-nitro-1',3'-dioxospiro[1H-benzo[c]quinolizine-5(6H),4'(1'H)-isoquinolin]-2'(3'H)-yl)-, ethyl ester [ACD/Index Name]
Ethyl 4-(8'-nitro-1,3-dioxo-2',3',4',4a'-tetrahydro-1H,1'H,6'H-spiro[isoquinoline-4,5'-pyrido[1,2-a]quinolin]-2(3H)-yl)benzoate [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 752.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.8±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19772.13
ACD/KOC (pH 5.5): 41371.49
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19772.19
ACD/KOC (pH 7.4): 41371.62
Polar Surface Area: 113 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 367.9±5.0 cm3

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