ChemSpider 2D Image | {7-[(~2~H_3_)Methyloxy]-2-oxo-2H-chromen-4-yl}acetic acid | C12H7D3O5

{7-[(2H3)Methyloxy]-2-oxo-2H-chromen-4-yl}acetic acid

  • Molecular FormulaC12H7D3O5
  • Average mass237.223 Da
  • Monoisotopic mass237.071655 Da
  • ChemSpider ID52082702

  • Non-standard isotope - Non-standard isotope

More details:

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

{7-[(2H3)Methyloxy]-2-oxo-2H-chromen-4-yl}acetic acid [ACD/IUPAC Name]
{7-[(2H3)Methyloxy]-2-oxo-2H-chromen-4-yl}essigsäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-4-acetic acid, 7-(methyl-d3-oxy)-2-oxo- [ACD/Index Name]
Acide {7-[(2H3)méthyloxy]-2-oxo-2H-chromén-4-yl}acétique [French] [ACD/IUPAC Name]
7-Methoxy-d3-coumarin-4-acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 472.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 189.2±22.2 °C
Index of Refraction: 1.584
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.55
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 171.3±3.0 cm3

Click to predict properties on the Chemicalize site


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