ChemSpider 2D Image | Methyl 3-(7,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-6-yl)propanoate | C14H14O6

Methyl 3-(7,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-6-yl)propanoate

  • Molecular FormulaC14H14O6
  • Average mass278.257 Da
  • Monoisotopic mass278.079041 Da
  • ChemSpider ID58135634

More details:

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

1H-2-Benzopyran-6-propanoic acid, 7,8-dihydroxy-3-methyl-1-oxo-, methyl ester [ACD/Index Name]
3-(7,8-Dihydroxy-3-méthyl-1-oxo-1H-isochromén-6-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(7,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-6-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(7,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-6-yl)propanoat [German] [ACD/IUPAC Name]
E'griseorhodin F'
Griseorhodin F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 499.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 191.1±22.2 °C
Index of Refraction: 1.600
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.51
ACD/KOC (pH 5.5): 651.77
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 21.29
ACD/KOC (pH 7.4): 229.35
Polar Surface Area: 93 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 201.3±3.0 cm3

Click to predict properties on the Chemicalize site


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