ChemSpider 2D Image | 6-(2,3,4-trimethoxyphenyl)-6-oxohexanoic acid | C15H20O6

6-(2,3,4-trimethoxyphenyl)-6-oxohexanoic acid

  • Molecular FormulaC15H20O6
  • Average mass296.316 Da
  • Monoisotopic mass296.125977 Da
  • ChemSpider ID21401920

More details:

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

6-(2,3,4-trimethoxyphenyl)-6-oxohexanoic acid
6-Oxo-6-(2,3,4-trimethoxyphenyl)hexanoic acid [ACD/IUPAC Name]
6-Oxo-6-(2,3,4-trimethoxyphenyl)hexansäure [German] [ACD/IUPAC Name]
917591-97-0 [RN]
Acide 6-oxo-6-(2,3,4-triméthoxyphényl)hexanoïque [French] [ACD/IUPAC Name]
Benzenehexanoic acid, 2,3,4-trimethoxy-ε-oxo- [ACD/Index Name]
MFCD09801786 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 173.6±22.2 °C
Index of Refraction: 1.514
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 36.51
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 253.6±3.0 cm3

Click to predict properties on the Chemicalize site


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