ChemSpider 2D Image | 7-Oxo-7-(3,4,5-trimethoxyphenyl)heptanoic acid | C16H22O6

7-Oxo-7-(3,4,5-trimethoxyphenyl)heptanoic acid

  • Molecular FormulaC16H22O6
  • Average mass310.342 Da
  • Monoisotopic mass310.141632 Da
  • ChemSpider ID21401914

More details:

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

7-Oxo-7-(3,4,5-trimethoxyphenyl)heptanoic acid [ACD/IUPAC Name]
7-Oxo-7-(3,4,5-trimethoxyphenyl)heptansäure [German] [ACD/IUPAC Name]
951891-88-6 [RN]
Acide 7-oxo-7-(3,4,5-triméthoxyphényl)heptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 3,4,5-trimethoxy-ζ-oxo- [ACD/Index Name]
7-(3,4,5-TRIMETHOXYPHENYL)-7-OXOHEPTANOIC ACID
MFCD09801778 [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: 483.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 173.7±22.2 °C
Index of Refraction: 1.512
Molar Refractivity: 81.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 52.54
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 270.1±3.0 cm3

Click to predict properties on the Chemicalize site


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