Found 3 results

Search term: KOXRJHMEFYNYME (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2,3,4,5-Tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-6H-benzo[7]annulen-6-one | C20H16O9

2,3,4,5-Tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-6H-benzo[7]annulen-6-one

  • Molecular FormulaC20H16O9
  • Average mass400.336 Da
  • Monoisotopic mass400.079437 Da
  • ChemSpider ID35013579

More details:

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

2,3,4,5-Tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-6H-benzo[7]annulen-6-on [German] [ACD/IUPAC Name]
2,3,4,5-Tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-6H-benzo[7]annulen-6-one [ACD/IUPAC Name]
2,3,4,5-Tétrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yl)-6H-benzo[7]annulén-6-one [French] [ACD/IUPAC Name]
6H-Benzocyclohepten-6-one, 8-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2,3,4,5-tetrahydroxy- [ACD/Index Name]
102208-15-1 [RN]
102208-16-2 [RN]
18483-80-2 [RN]
2,3,4,5-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-6H-benzo[7]annulen-6-one
2,3,4,5-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)benzo[7]annulen-6-one
2,3,4,6-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-5-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.9±0.1 g/cm3
Boiling Point: 677.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 245.3±25.0 °C
Index of Refraction: 1.861
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 133.3±5.0 dyne/cm
Molar Volume: 212.8±5.0 cm3

Click to predict properties on the Chemicalize site


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