ChemSpider 2D Image | 7-Hydroxy-6-[(~2~H_3_)methyloxy]-2H-chromen-2-one | C10H5D3O4

7-Hydroxy-6-[(2H3)methyloxy]-2H-chromen-2-one

  • Molecular FormulaC10H5D3O4
  • Average mass195.187 Da
  • Monoisotopic mass195.061096 Da
  • ChemSpider ID82823347
  • Non-standard isotope - Non-standard isotope


More details:






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

2H-1-Benzopyran-2-one, 7-hydroxy-6-(methyl-d3-oxy)- [ACD/Index Name]
7-Hydroxy-6-[(2H3)methyloxy]-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-Hydroxy-6-[(2H3)methyloxy]-2H-chromen-2-one [ACD/IUPAC Name]
7-Hydroxy-6-[(2H3)méthyloxy]-2H-chromén-2-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 413.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 172.4±22.2 °C
Index of Refraction: 1.609
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.40
ACD/KOC (pH 5.5): 172.86
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.22
ACD/KOC (pH 7.4): 132.71
Polar Surface Area: 56 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 139.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement