ChemSpider 2D Image | 9-{[(2E,5E)-7-Hydroxy-3,7-dimethyl-2,5-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one | C21H22O5

9-{[(2E,5E)-7-Hydroxy-3,7-dimethyl-2,5-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one

  • Molecular FormulaC21H22O5
  • Average mass354.396 Da
  • Monoisotopic mass354.146729 Da
  • ChemSpider ID28424410

  • Double-bond stereo - Double-bond stereo

More details:

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

144398-34-5 [RN]
7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadien-1-yl]oxy]- [ACD/Index Name]
9-{[(2E,5E)-7-Hydroxy-3,7-dimethyl-2,5-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-on [German] [ACD/IUPAC Name]
9-{[(2E,5E)-7-Hydroxy-3,7-dimethyl-2,5-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one [ACD/IUPAC Name]
9-{[(2E,5E)-7-Hydroxy-3,7-diméthyl-2,5-octadién-1-yl]oxy}-7H-furo[3,2-g]chromén-7-one [French] [ACD/IUPAC Name]
[144398-34-5] [RN]
8-(7-Hydroxy-3,7-dimethyl-2,5-octadienyloxy)psoralen
9-((7-Hydroxy-3,7-dimethylocta-2,5-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
9-[(7-HYDROXY-3,7-DIMETHYLOCTA-2,5-DIEN-1-YL)OXY]-7H-FURO[3,2-G]CHROMEN-7-ONE
9-[(7-HYDROXY-3,7-DIMETHYLOCTA-2,5-DIEN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 541.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 386.03
ACD/KOC (pH 5.5): 2472.35
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 386.03
ACD/KOC (pH 7.4): 2472.35
Polar Surface Area: 69 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 291.2±3.0 cm3

Click to predict properties on the Chemicalize site


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