ChemSpider 2D Image | 4-[5,7-Dimethoxy-6-(octyloxy)-4-oxo-4H-chromen-2-yl]-1,2-phenylene diacetate | C29H34O9

4-[5,7-Dimethoxy-6-(octyloxy)-4-oxo-4H-chromen-2-yl]-1,2-phenylene diacetate

  • Molecular FormulaC29H34O9
  • Average mass526.575 Da
  • Monoisotopic mass526.220276 Da
  • ChemSpider ID23163915

More details:

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

4-[5,7-Dimethoxy-6-(octyloxy)-4-oxo-4H-chromen-2-yl]-1,2-phenylen-diacetat [German] [ACD/IUPAC Name]
4-[5,7-Dimethoxy-6-(octyloxy)-4-oxo-4H-chromen-2-yl]-1,2-phenylene diacetate [ACD/IUPAC Name]
4-[5,7-dimethoxy-6-(octyloxy)-4-oxo-4H-chromen-2-yl]benzene-1,2-diyl diacetate
4H-1-Benzopyran-4-one, 2-[3,4-bis(acetyloxy)phenyl]-5,7-dimethoxy-6-(octyloxy)- [ACD/Index Name]
Diacétate de 4-[5,7-diméthoxy-6-(octyloxy)-4-oxo-4H-chromén-2-yl]-1,2-phénylène [French] [ACD/IUPAC Name]
Acetic acid 2-acetoxy-5-(5,7-dimethoxy-6-octyloxy-4-oxo-4H-chromen-2-yl)-phenyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL310474/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 280.0±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12570.37
ACD/KOC (pH 5.5): 29915.90
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12570.37
ACD/KOC (pH 7.4): 29915.90
Polar Surface Area: 107 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 442.1±3.0 cm3

Click to predict properties on the Chemicalize site


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