ChemSpider 2D Image | 6-(4-Methoxyphenyl)-4,6-dioxohexanoic acid | C13H14O5

6-(4-Methoxyphenyl)-4,6-dioxohexanoic acid

  • Molecular FormulaC13H14O5
  • Average mass250.247 Da
  • Monoisotopic mass250.084122 Da
  • ChemSpider ID25664609

More details:

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

6-(4-Methoxyphenyl)-4,6-dioxohexanoic acid [ACD/IUPAC Name]
6-(4-Methoxyphenyl)-4,6-dioxohexansäure [German] [ACD/IUPAC Name]
Acide 6-(4-méthoxyphényl)-4,6-dioxohexanoïque [French] [ACD/IUPAC Name]
Benzenehexanoic acid, 4-methoxy-γ,ε-dioxo- [ACD/Index Name]
[119600-38-3] [RN]
119600-38-3 [RN]
6-(4-Methoxyphenyl)-4,6-dioxohexanoicacid
MFCD19327627 [MDL number]

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

CCRIS 4693 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 467.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 180.2±16.7 °C
Index of Refraction: 1.535
Molar Refractivity: 63.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 37.12
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 202.7±3.0 cm3

Click to predict properties on the Chemicalize site


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