ChemSpider 2D Image | Monomethylsulochrin | C18H18O7

Monomethylsulochrin

  • Molecular FormulaC18H18O7
  • Average mass346.331 Da
  • Monoisotopic mass346.105255 Da
  • ChemSpider ID21130076

More details:

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

10056-14-1 [RN]
5-Hydroxy-2-(2-hydroxy-6-méthoxy-4-méthylbenzoyl)-3-méthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxy-, methyl ester [ACD/Index Name]
Methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate [ACD/IUPAC Name]
Methyl-5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoat [German] [ACD/IUPAC Name]
Monomethylsulochrin
5-Hydroxy-2-(2-hydroxy-6-methoxy-4-methyl-benzoyl)-3-methoxy-benzoic acid methyl ester
5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxy-benzoic acid, methyl ester
BRD-K01160025-001-01-5

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

Density: 1.3±0.1 g/cm3
Boiling Point: 586.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 213.5±23.6 °C
Index of Refraction: 1.588
Molar Refractivity: 89.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 251.20
ACD/KOC (pH 5.5): 1767.77
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 16.21
ACD/KOC (pH 7.4): 114.07
Polar Surface Area: 102 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 266.6±3.0 cm3

Click to predict properties on the Chemicalize site


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