ChemSpider 2D Image | 4-[5-Acetoxy-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-3-yl]-1,2-phenylene diacetate | C31H30O9

4-[5-Acetoxy-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-3-yl]-1,2-phenylene diacetate

  • Molecular FormulaC31H30O9
  • Average mass546.565 Da
  • Monoisotopic mass546.188965 Da
  • ChemSpider ID198935

More details:

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

4-[5-Acetoxy-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-3-yl]-1,2-phenylen-diacetat [German] [ACD/IUPAC Name]
4-[5-Acetoxy-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-3-yl]-1,2-phenylene diacetate [ACD/IUPAC Name]
4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 5-(acetyloxy)-3-[3,4-bis(acetyloxy)phenyl]-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5436-25-9 [RN]
Diacétate de 4-[5-acétoxy-8,8-diméthyl-6-(3-méthyl-2-butén-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromén-3-yl]-1,2-phénylène [French] [ACD/IUPAC Name]
4-(5-Acetoxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4-oxo-4,8-dihydropyrano[2,3-f]chromen-3-yl)-1,2-phenylene diacetate
4-[5-(ACETYLOXY)-8,8-DIMETHYL-6-(3-METHYLBUT-2-EN-1-YL)-4-OXO-4H,8H-PYRANO[2,3-F]CHROMEN-3-YL]BENZENE-1,2-DIYL DIACETATE
6296-95-3 [RN]
Pomiferin triacetate
POMIFERIN, TRIACETATE

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

NSC21570 [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: 698.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 293.1±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6169.19
ACD/KOC (pH 5.5): 17973.67
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6169.19
ACD/KOC (pH 7.4): 17973.67
Polar Surface Area: 114 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 437.5±3.0 cm3

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