ChemSpider 2D Image | 7-Isocyanato-4-methyl-2H-chromen-2-one | C11H7NO3

7-Isocyanato-4-methyl-2H-chromen-2-one

  • Molecular FormulaC11H7NO3
  • Average mass201.178 Da
  • Monoisotopic mass201.042587 Da
  • ChemSpider ID34212251

More details:

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

2H-1-Benzopyran-2-one, 7-isocyanato-4-methyl- [ACD/Index Name]
7-Isocyanato-4-methyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-Isocyanato-4-methyl-2H-chromen-2-one [ACD/IUPAC Name]
7-Isocyanato-4-méthyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
139374-47-3 [RN]
MFCD24450478

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

Density: 1.3±0.1 g/cm3
Boiling Point: 366.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 189.3±20.9 °C
Index of Refraction: 1.603
Molar Refractivity: 54.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.05
ACD/KOC (pH 5.5): 772.84
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.05
ACD/KOC (pH 7.4): 772.84
Polar Surface Area: 56 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 157.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement