ChemSpider 2D Image | 7-Acetyl-4,5,8-trihydroxy-3-methoxy-6-methyl-1,2-naphthalenedione | C14H12O7

7-Acetyl-4,5,8-trihydroxy-3-methoxy-6-methyl-1,2-naphthalenedione

  • Molecular FormulaC14H12O7
  • Average mass292.241 Da
  • Monoisotopic mass292.058289 Da
  • ChemSpider ID35798147

More details:

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

1,2-Naphthalenedione, 7-acetyl-4,5,8-trihydroxy-3-methoxy-6-methyl- [ACD/Index Name]
7-Acétyl-4,5,8-trihydroxy-3-méthoxy-6-méthyl-1,2-naphtalènedione [French] [ACD/IUPAC Name]
7-Acetyl-4,5,8-trihydroxy-3-methoxy-6-methyl-1,2-naphthalenedione [ACD/IUPAC Name]
7-Acetyl-4,5,8-trihydroxy-3-methoxy-6-methyl-1,2-naphthalindion [German] [ACD/IUPAC Name]
1,5-NAPHTHALENEDIONE,2-ACETYL-4,7,8-TRIHYDROXY-6-METHOXY-3-METHYL-
1228-77-9 [RN]
2-Acetyl-4,7,8-trihydroxy-6-methoxy-3-methyl-1,5-naphthalenedione [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 622.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 240.1±25.0 °C
Index of Refraction: 1.664
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.20
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 183.0±5.0 cm3

Click to predict properties on the Chemicalize site


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