ChemSpider 2D Image | 4-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoic acid | C21H22O7

4-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoic acid

  • Molecular FormulaC21H22O7
  • Average mass386.395 Da
  • Monoisotopic mass386.136566 Da
  • ChemSpider ID78435326

More details:

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

4-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoesäure [German] [ACD/IUPAC Name]
4-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoic acid [ACD/IUPAC Name]
Acide 4-[(2,4-dihydroxy-6-méthylbenzoyl)oxy]-2-hydroxy-6-méthyl-3-(3-méthyl-2-butén-1-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
Sterenin E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 217.3±25.0 °C
Index of Refraction: 1.635
Molar Refractivity: 103.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 13.60
ACD/KOC (pH 5.5): 29.05
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 7.47
ACD/KOC (pH 7.4): 15.96
Polar Surface Area: 124 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 289.0±3.0 cm3

Click to predict properties on the Chemicalize site


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