ChemSpider 2D Image | Hydroxysulochrin | C17H16O8

Hydroxysulochrin

  • Molecular FormulaC17H16O8
  • Average mass348.304 Da
  • Monoisotopic mass348.084503 Da
  • ChemSpider ID78434839

More details:






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

2-[2,6-Dihydroxy-4-(hydroxyméthyl)benzoyl]-5-hydroxy-3-méthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
581068-64-6 [RN]
Benzoic acid, 2-[2,6-dihydroxy-4-(hydroxymethyl)benzoyl]-5-hydroxy-3-methoxy-, methyl ester [ACD/Index Name]
Hydroxysulochrin
Methyl 2-[2,6-dihydroxy-4-(hydroxymethyl)benzoyl]-5-hydroxy-3-methoxybenzoate [ACD/IUPAC Name]
Methyl-2-[2,6-dihydroxy-4-(hydroxymethyl)benzoyl]-5-hydroxy-3-methoxybenzoat [German] [ACD/IUPAC Name]
2-[2,6-dihydroxy-4-(hydroxymethyl)benzoyl]-5-hydroxy-3-methoxy-benzoic acid, methyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 639.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 235.8±25.0 °C
Index of Refraction: 1.646
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 37.00
ACD/KOC (pH 5.5): 441.90
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.95
Polar Surface Area: 134 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 238.5±3.0 cm3

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