ChemSpider 2D Image | 5-(2,4,5-trimethoxyphenyl)-5-oxovaleric acid | C14H18O6

5-(2,4,5-trimethoxyphenyl)-5-oxovaleric acid

  • Molecular FormulaC14H18O6
  • Average mass282.289 Da
  • Monoisotopic mass282.110352 Da
  • ChemSpider ID21401916

More details:






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

5-(2,4,5-trimethoxyphenyl)-5-oxovaleric acid
5-Oxo-5-(2,4,5-trimethoxyphenyl)pentanoic acid [ACD/IUPAC Name]
5-Oxo-5-(2,4,5-trimethoxyphenyl)pentansäure [German] [ACD/IUPAC Name]
92865-60-6 [RN]
Acide 5-oxo-5-(2,4,5-triméthoxyphényl)pentanoïque [French] [ACD/IUPAC Name]
Benzenepentanoic acid, 2,4,5-trimethoxy-δ-oxo- [ACD/Index Name]
MFCD09801780 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 490.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 183.6±22.2 °C
Index of Refraction: 1.517
Molar Refractivity: 71.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 20.60
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 237.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement