ChemSpider 2D Image | 3,4,8-Trimethoxy-2-oxo-2H-chromene-5-carbaldehyde | C13H12O6

3,4,8-Trimethoxy-2-oxo-2H-chromene-5-carbaldehyde

  • Molecular FormulaC13H12O6
  • Average mass264.231 Da
  • Monoisotopic mass264.063385 Da
  • ChemSpider ID28710473

More details:

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

2H-1-Benzopyran-5-carboxaldehyde, 3,4,8-trimethoxy-2-oxo- [ACD/Index Name]
3,4,8-Trimethoxy-2-oxo-2H-chromen-5-carbaldehyd [German] [ACD/IUPAC Name]
3,4,8-Trimethoxy-2-oxo-2H-chromene-5-carbaldehyde [ACD/IUPAC Name]
3,4,8-Triméthoxy-2-oxo-2H-chromène-5-carbaldéhyde [French] [ACD/IUPAC Name]
3,4,8-Trimethoxy-2-oxo-2H-1-benzopyran-5-carbaldehyde
93078-79-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 240.6±30.2 °C
Index of Refraction: 1.563
Molar Refractivity: 64.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.83
ACD/KOC (pH 5.5): 137.74
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.83
ACD/KOC (pH 7.4): 137.74
Polar Surface Area: 71 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 197.1±5.0 cm3

Click to predict properties on the Chemicalize site


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