ChemSpider 2D Image | MFCD00667569 | C25H24O9

MFCD00667569

  • Molecular FormulaC25H24O9
  • Average mass468.453 Da
  • Monoisotopic mass468.142029 Da
  • ChemSpider ID21499944

More details:

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

5H-Benzocycloheptene-6,7,8-tricarboxylic acid, 9-hydroxy-2,3-dimethoxy-5-phenyl-, trimethyl ester [ACD/Index Name]
9-Hydroxy-2,3-diméthoxy-5-phényl-5H-benzo[7]annulène-6,7,8-tricarboxylate de triméthyle [French] [ACD/IUPAC Name]
MFCD00667569
Trimethyl 9-hydroxy-2,3-dimethoxy-5-phenyl-5H-benzo[7]annulene-6,7,8-tricarboxylate [ACD/IUPAC Name]
Trimethyl-9-hydroxy-2,3-dimethoxy-5-phenyl-5H-benzo[7]annulen-6,7,8-tricarboxylat [German] [ACD/IUPAC Name]
6,7,8-trimethyl 9-hydroxy-2,3-dimethoxy-5-phenyl-5H-benzo[7]annulene-6,7,8-tricarboxylate
9-HO-2,3-DI-MEO-5-PH-5H-BENZOCYCLOHEPTENE-6,7,8-TRICARBOXYLIC ACID TRI-ME ESTER

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 207.2±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 30.17
ACD/KOC (pH 5.5): 201.88
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.48
Polar Surface Area: 118 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 354.6±3.0 cm3

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