ChemSpider 2D Image | 8-(2-Ethyl-4-methyl-6-vinylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione | C18H22N2O3

8-(2-Ethyl-4-methyl-6-vinylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione

  • Molecular FormulaC18H22N2O3
  • Average mass314.379 Da
  • Monoisotopic mass314.163055 Da
  • ChemSpider ID25059154

More details:






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

7H-Pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione, 8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro- [ACD/Index Name]
8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7H-pyrazolo[1,2-D][1,4,5]oxadiazepine-7,9(8H)-dione
8-(2-Ethyl-4-methyl-6-vinylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7,9(8H)-dion [German] [ACD/IUPAC Name]
8-(2-Ethyl-4-methyl-6-vinylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione [ACD/IUPAC Name]
8-(2-Éthyl-4-méthyl-6-vinylphényl)tétrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazépine-7,9(8H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 439.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.3±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.83
ACD/KOC (pH 5.5): 228.16
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.80
ACD/KOC (pH 7.4): 227.59
Polar Surface Area: 50 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 256.7±5.0 cm3

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