ChemSpider 2D Image | 7-(2,6-Dimethoxyphenyl)-7-oxoheptanoic acid | C15H20O5

7-(2,6-Dimethoxyphenyl)-7-oxoheptanoic acid

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID21401845

More details:

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

7-(2,6-Dimethoxyphenyl)-7-oxoheptanoic acid [ACD/IUPAC Name]
7-(2,6-Dimethoxyphenyl)-7-oxoheptansäure [German] [ACD/IUPAC Name]
Acide 7-(2,6-diméthoxyphényl)-7-oxoheptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 2,6-dimethoxy-ζ-oxo- [ACD/Index Name]
898792-51-3 [RN]
MFCD02261040 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 462.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 169.6±19.4 °C
Index of Refraction: 1.516
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 4.74
ACD/KOC (pH 5.5): 61.53
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 246.1±3.0 cm3

Click to predict properties on the Chemicalize site


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