ChemSpider 2D Image | 3,3'-[(3,4,5-Trimethoxyphenyl)methylene]bis(4-hydroxy-1,2-naphthalenedione) | C30H22O9

3,3'-[(3,4,5-Trimethoxyphenyl)methylene]bis(4-hydroxy-1,2-naphthalenedione)

  • Molecular FormulaC30H22O9
  • Average mass526.490 Da
  • Monoisotopic mass526.126404 Da
  • ChemSpider ID239889

More details:

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

1,2-Naphthalenedione, 3,3'-[(3,4,5-trimethoxyphenyl)methylene]bis[4-hydroxy- [ACD/Index Name]
3,3'-[(3,4,5-Trimethoxyphenyl)methylen]bis(4-hydroxy-1,2-naphthalindion) [German] [ACD/IUPAC Name]
3,3'-[(3,4,5-Triméthoxyphényl)méthylène]bis(4-hydroxy-1,2-naphtalènedione) [French] [ACD/IUPAC Name]
3,3'-[(3,4,5-Trimethoxyphenyl)methylene]bis(4-hydroxy-1,2-naphthalenedione) [ACD/IUPAC Name]
3,3'-{[3,4,5-Tris(methyloxy)phenyl]methylene}bis(2-hydroxy-1,4-naphthalenedione)

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

AIDS012213 [DBID]
AIDS-012213 [DBID]
NSC117278 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 744.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 248.6±26.4 °C
Index of Refraction: 1.694
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 6.22
ACD/KOC (pH 5.5): 54.26
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 73.4±3.0 dyne/cm
Molar Volume: 354.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement