ChemSpider 2D Image | 2-Amino-3-cyano-4-(3-phenoxyphenyl)-4H-chromen-7-yl 2,3-dihydro-1,4-benzodioxine-2-carboxylate | C31H22N2O6

2-Amino-3-cyano-4-(3-phenoxyphenyl)-4H-chromen-7-yl 2,3-dihydro-1,4-benzodioxine-2-carboxylate

  • Molecular FormulaC31H22N2O6
  • Average mass518.516 Da
  • Monoisotopic mass518.147766 Da
  • ChemSpider ID12017499

More details:

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

1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, 2-amino-3-cyano-4-(3-phenoxyphenyl)-4H-1-benzopyran-7-yl ester [ACD/Index Name]
2,3-Dihydro-1,4-benzodioxine-2-carboxylate de 2-amino-3-cyano-4-(3-phénoxyphényl)-4H-chromén-7-yle [French] [ACD/IUPAC Name]
2-Amino-3-cyan-4-(3-phenoxyphenyl)-4H-chromen-7-yl-2,3-dihydro-1,4-benzodioxin-2-carboxylat [German] [ACD/IUPAC Name]
2-Amino-3-cyano-4-(3-phenoxyphenyl)-4H-chromen-7-yl 2,3-dihydro-1,4-benzodioxine-2-carboxylate [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: 707.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.8±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 141.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7242.04
ACD/KOC (pH 5.5): 20149.40
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7254.62
ACD/KOC (pH 7.4): 20184.43
Polar Surface Area: 113 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 361.3±5.0 cm3

Click to predict properties on the Chemicalize site


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