ChemSpider 2D Image | 3-{[(5,7-Dihydroxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-yl)oxy]carbonyl}-2-hydroxy-6-methoxy-4-methylbenzoic acid | C19H16O10

3-{[(5,7-Dihydroxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-yl)oxy]carbonyl}-2-hydroxy-6-methoxy-4-methylbenzoic acid

  • Molecular FormulaC19H16O10
  • Average mass404.324 Da
  • Monoisotopic mass404.074341 Da
  • ChemSpider ID78434848

More details:

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

1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-(1,3-dihydro-5,7-dihydroxy-6-methyl-1-oxo-4-isobenzofuranyl) ester [ACD/Index Name]
3-{[(5,7-Dihydroxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-yl)oxy]carbonyl}-2-hydroxy-6-methoxy-4-methylbenzoesäure [German] [ACD/IUPAC Name]
3-{[(5,7-Dihydroxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-yl)oxy]carbonyl}-2-hydroxy-6-methoxy-4-methylbenzoic acid [ACD/IUPAC Name]
Acide 3-{[(5,7-dihydroxy-6-méthyl-1-oxo-1,3-dihydro-2-benzofuran-4-yl)oxy]carbonyl}-2-hydroxy-6-méthoxy-4-méthylbenzoïque [French] [ACD/IUPAC Name]
Neothamnolic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 797.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 288.5±26.4 °C
Index of Refraction: 1.682
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.49
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 79.0±3.0 dyne/cm
Molar Volume: 253.9±3.0 cm3

Click to predict properties on the Chemicalize site


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