ChemSpider 2D Image | 6-Oxo-6-(2,4,5-trimethoxyphenyl)hexanoic acid | C15H20O6

6-Oxo-6-(2,4,5-trimethoxyphenyl)hexanoic acid

  • Molecular FormulaC15H20O6
  • Average mass296.316 Da
  • Monoisotopic mass296.125977 Da
  • ChemSpider ID21401917

More details:

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

6-Oxo-6-(2,4,5-trimethoxyphenyl)hexanoic acid [ACD/IUPAC Name]
6-Oxo-6-(2,4,5-trimethoxyphenyl)hexansäure [German] [ACD/IUPAC Name]
951891-94-4 [RN]
Acide 6-oxo-6-(2,4,5-triméthoxyphényl)hexanoïque [French] [ACD/IUPAC Name]
Benzenehexanoic acid, 2,4,5-trimethoxy-ε-oxo- [ACD/Index Name]
6-(2,4,5-TRIMETHOXYPHENYL)-6-OXOHEXANOIC ACID
MFCD09801781 [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: 494.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 181.7±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: 2.26
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 35.98
ACD/LogD (pH 7.4): -0.74
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


Advertisement