ChemSpider 2D Image | 6-[(2E)-2-Buten-2-yl]-4-({6-[(2E)-2-buten-2-yl]-2,4-dihydroxy-3-methylbenzoyl}oxy)-2-hydroxy-3-methylbenzoic acid | C24H26O7

6-[(2E)-2-Buten-2-yl]-4-({6-[(2E)-2-buten-2-yl]-2,4-dihydroxy-3-methylbenzoyl}oxy)-2-hydroxy-3-methylbenzoic acid

  • Molecular FormulaC24H26O7
  • Average mass426.459 Da
  • Monoisotopic mass426.167847 Da
  • ChemSpider ID123960104

  • Double-bond stereo - Double-bond stereo

More details:

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

6-[(2E)-2-Buten-2-yl]-4-({6-[(2E)-2-buten-2-yl]-2,4-dihydroxy-3-methylbenzoyl}oxy)-2-hydroxy-3-methylbenzoesäure [German] [ACD/IUPAC Name]
6-[(2E)-2-Buten-2-yl]-4-({6-[(2E)-2-buten-2-yl]-2,4-dihydroxy-3-methylbenzoyl}oxy)-2-hydroxy-3-methylbenzoic acid [ACD/IUPAC Name]
Acide 6-[(2E)-2-butén-2-yl]-4-({6-[(2E)-2-butén-2-yl]-2,4-dihydroxy-3-méthylbenzoyl}oxy)-2-hydroxy-3-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2,4-dihydroxy-3-methyl-6-[(1E)-1-methyl-1-propen-1-yl]benzoyl]oxy]-2-hydroxy-3-methyl-6-[(1E)-1-methyl-1-propen-1-yl]- [ACD/Index Name]
2,4-dihydroxy-3-methyl-6-[(1E)-1-methyl-1-propen-1-yl]-benzoic acid, 4-carboxy-3-hydroxy-2-methyl-5-[(1E)-1-methyl-1-propen-1-yl]phenyl ester
445298-41-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 680.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 233.2±25.0 °C
Index of Refraction: 1.625
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 107.91
ACD/KOC (pH 5.5): 136.23
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 56.83
ACD/KOC (pH 7.4): 71.75
Polar Surface Area: 124 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 334.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement