ChemSpider 2D Image | 3-[(Triphenylphosphoranylidene)acetyl]-2H-chromen-2-one | C29H21O3P

3-[(Triphenylphosphoranylidene)acetyl]-2H-chromen-2-one

  • Molecular FormulaC29H21O3P
  • Average mass448.449 Da
  • Monoisotopic mass448.122833 Da
  • ChemSpider ID28684791

More details:

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

2H-1-Benzopyran-2-one, 3-[2-(triphenylphosphoranylidene)acetyl]- [ACD/Index Name]
3-[(Triphenylphosphoranyliden)acetyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-[(Triphenylphosphoranylidene)acetyl]-2H-chromen-2-one [ACD/IUPAC Name]
3-[2-(Triphénylphosphoranylidène)acétyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
140399-49-1 [RN]
2H-1-BENZOPYRAN-2-ONE, 3-[(TRIPHENYLPHOSPHORANYLIDENE)ACETYL]-
3-[(Triphenyl-λ5-phosphanylidene)acetyl]-2H-1-benzopyran-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 362.9±54.6 °C
Index of Refraction: 1.675
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6075.42
ACD/KOC (pH 5.5): 17777.70
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6075.42
ACD/KOC (pH 7.4): 17777.70
Polar Surface Area: 53 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 345.9±5.0 cm3

Click to predict properties on the Chemicalize site


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