Found 1 result

Search term: CTEXTIADMRVZON (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2,2'-Bis(3,4-dihydroxyphenyl)-2H,2'H-3,8'-bichromene-3',4,4',5,5',7,7'-heptol | C30H22O13

2,2'-Bis(3,4-dihydroxyphenyl)-2H,2'H-3,8'-bichromene-3',4,4',5,5',7,7'-heptol

  • Molecular FormulaC30H22O13
  • Average mass590.488 Da
  • Monoisotopic mass590.106018 Da
  • ChemSpider ID95775304

More details:






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

[3,8'-Bi-2H-1-benzopyran]-3',4,4',5,5',7,7'-heptol, 2,2'-bis(3,4-dihydroxyphenyl)- [ACD/Index Name]
2,2'-Bis(3,4-dihydroxyphenyl)-2H,2'H-3,8'-bichromen-3',4,4',5,5',7,7'-heptol [German] [ACD/IUPAC Name]
2,2'-Bis(3,4-dihydroxyphenyl)-2H,2'H-3,8'-bichromene-3',4,4',5,5',7,7'-heptol [ACD/IUPAC Name]
2,2'-Bis(3,4-dihydroxyphényl)-2H,2'H-3,8'-bichromène-3',4,4',5,5',7,7'-heptol [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1081.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.2±3.0 kJ/mol
Flash Point: 608.0±34.3 °C
Index of Refraction: 1.898
Molar Refractivity: 146.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 11
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 523.11
ACD/KOC (pH 5.5): 3070.80
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 508.28
ACD/KOC (pH 7.4): 2983.73
Polar Surface Area: 241 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 134.1±3.0 dyne/cm
Molar Volume: 314.7±3.0 cm3

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