ChemSpider 2D Image | Methyl 4-oxo-3-phenyl-4H-chromene-2-carboxylate | C17H12O4

Methyl 4-oxo-3-phenyl-4H-chromene-2-carboxylate

  • Molecular FormulaC17H12O4
  • Average mass280.275 Da
  • Monoisotopic mass280.073547 Da
  • ChemSpider ID28599889

More details:

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

4H-1-Benzopyran-2-carboxylic acid, 4-oxo-3-phenyl-, methyl ester [ACD/Index Name]
4-Oxo-3-phényl-4H-chromène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
51081-70-0 [RN]
Methyl 4-oxo-3-phenyl-4H-chromene-2-carboxylate [ACD/IUPAC Name]
Methyl-4-oxo-3-phenyl-4H-chromen-2-carboxylat [German] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-6-((Trityloxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
Methyl 4-oxo-2-phenyl-4H-chromene-3-carboxylate [ACD/IUPAC Name]
Methyl 4-oxo-3-phenyl-4H-1-benzopyran-2-carboxylate
METHYL 4-OXO-3-PHENYLCHROMENE-2-CARBOXYLATE
MFCD26793510

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 426.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.1±3.0 kJ/mol
    Flash Point: 189.9±28.8 °C
    Index of Refraction: 1.617
    Molar Refractivity: 75.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): 3.49
    ACD/BCF (pH 5.5): 266.27
    ACD/KOC (pH 5.5): 1895.17
    ACD/LogD (pH 7.4): 3.49
    ACD/BCF (pH 7.4): 266.27
    ACD/KOC (pH 7.4): 1895.17
    Polar Surface Area: 53 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 52.2±3.0 dyne/cm
    Molar Volume: 214.9±3.0 cm3

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