Found 63 results

Search term: MF = 'C_{21}H_{13}NO_{2}'
ChemSpider 2D Image | 2-[(4-Aminophenyl)ethynyl]-9H-xanthen-9-one | C21H13NO2

2-[(4-Aminophenyl)ethynyl]-9H-xanthen-9-one

  • Molecular FormulaC21H13NO2
  • Average mass311.333 Da
  • Monoisotopic mass311.094635 Da
  • ChemSpider ID25026409

More details:

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

2-[(4-Aminophenyl)ethinyl]-9H-xanthen-9-on [German] [ACD/IUPAC Name]
2-[(4-Aminophenyl)ethynyl]-9H-xanthen-9-one [ACD/IUPAC Name]
2-[(4-Aminophényl)éthynyl]-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 2-[2-(4-aminophenyl)ethynyl]- [ACD/Index 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: 561.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.3±26.4 °C
Index of Refraction: 1.733
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1051.22
ACD/KOC (pH 5.5): 5034.00
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1073.44
ACD/KOC (pH 7.4): 5140.38
Polar Surface Area: 52 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 228.6±5.0 cm3

Click to predict properties on the Chemicalize site


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