ChemSpider 2D Image | 2'-(3,4-Dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione | C29H32N2O7

2'-(3,4-Dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione

  • Molecular FormulaC29H32N2O7
  • Average mass520.574 Da
  • Monoisotopic mass520.220947 Da
  • ChemSpider ID3049083

More details:

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

2'-(3,4-Dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione [ACD/IUPAC Name]
Spiro[1,3-dioxane-5,1'(10'bH)-pyrrolo[2,1-a]phthalazine]-4,6-dione, 2'-(3,4-dimethoxyphenyl)-3'-(2,2-dimethyl-1-oxopropyl)-2',3'-dihydro-2,2-dimethyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 735.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.4±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 138.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 965.79
ACD/KOC (pH 5.5): 4766.23
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 965.83
ACD/KOC (pH 7.4): 4766.42
Polar Surface Area: 104 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 399.5±7.0 cm3

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