ChemSpider 2D Image | Trigallic Acid | C21H14O13

Trigallic Acid

  • Molecular FormulaC21H14O13
  • Average mass474.328 Da
  • Monoisotopic mass474.043427 Da
  • ChemSpider ID30776834

More details:

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

2131-66-0 [RN]
3-({3,4-Dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}oxy)-4,5-dihydroxybenzoesäure [German] [ACD/IUPAC Name]
3-({3,4-Dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}oxy)-4,5-dihydroxybenzoic acid [ACD/IUPAC Name]
Acide 3-({3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}oxy)-4,5-dihydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]-, 5-carboxy-2,3-dihydroxyphenyl ester [ACD/Index Name]
Trigallic Acid
3,4-Dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid 5-carboxy-2,3-dihydroxyphenyl ester, 9CI
3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoic acid
3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid
Metatrigallic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.8±0.1 g/cm3
Boiling Point: 910.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.6±3.0 kJ/mol
Flash Point: 320.3±27.8 °C
Index of Refraction: 1.794
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.64
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 117.8±3.0 dyne/cm
Molar Volume: 257.8±3.0 cm3

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