ChemSpider 2D Image | 7-Ethynyl-2-oxo-2H-chromene-3-carboxylic acid | C12H6O4

7-Ethynyl-2-oxo-2H-chromene-3-carboxylic acid

  • Molecular FormulaC12H6O4
  • Average mass214.174 Da
  • Monoisotopic mass214.026611 Da
  • ChemSpider ID60804320

More details:

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

2H-1-Benzopyran-3-carboxylic acid, 7-ethynyl-2-oxo- [ACD/Index Name]
7-Ethinyl-2-oxo-2H-chromen-3-carbonsäure [German] [ACD/IUPAC Name]
7-Ethynyl-2-oxo-2H-chromene-3-carboxylic acid [ACD/IUPAC Name]
Acide 7-éthynyl-2-oxo-2H-chromène-3-carboxylique [French] [ACD/IUPAC Name]
1175514-11-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 411.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 166.6±22.2 °C
Index of Refraction: 1.659
Molar Refractivity: 53.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 145.1±5.0 cm3

Click to predict properties on the Chemicalize site


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