ChemSpider 2D Image | (7R)-3,5'-Dihydroxy-4,7'-dimethoxy-4'H-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-chromen]-4'-one | C18H16O6

(7R)-3,5'-Dihydroxy-4,7'-dimethoxy-4'H-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-chromen]-4'-one

  • Molecular FormulaC18H16O6
  • Average mass328.316 Da
  • Monoisotopic mass328.094696 Da
  • ChemSpider ID57641824

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R)-3,5'-Dihydroxy-4,7'-dimethoxy-4'H-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-chromen]-4'-one [ACD/IUPAC Name]
Spiro[2H-1-benzopyran-3(4H),7'-bicyclo[4.2.0]octa[1,3,5]trien]-4-one, 3',5-dihydroxy-4',7-dimethoxy-, (3R)- [ACD/Index Name]
(R)-3',5-dihydroxy-4',7-dimethoxyspiro [2H-1-benzopyran- 3(4H),7'-bicyclo[4.2.0]-octa[1,3,5]-trien]-4-one
131019-75-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 617.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 230.8±25.0 °C
Index of Refraction: 1.689
Molar Refractivity: 83.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 143.72
ACD/KOC (pH 5.5): 1204.81
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 34.54
ACD/KOC (pH 7.4): 289.54
Polar Surface Area: 85 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 218.8±5.0 cm3

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