ChemSpider 2D Image | 5-({3-[Bis(3-carboxy-4-hydroxyphenyl)methylene]-5-carboxy-6-oxo-1,4-cyclohexadien-1-yl}methyl)-2-hydroxybenzoic acid | C30H20O12

5-({3-[Bis(3-carboxy-4-hydroxyphenyl)methylene]-5-carboxy-6-oxo-1,4-cyclohexadien-1-yl}methyl)-2-hydroxybenzoic acid

  • Molecular FormulaC30H20O12
  • Average mass572.473 Da
  • Monoisotopic mass572.094971 Da
  • ChemSpider ID20129030

More details:

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

5-({3-[Bis(3-carboxy-4-hydroxyphenyl)methylen]-5-carboxy-6-oxo-1,4-cyclohexadien-1-yl}methyl)-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-({3-[Bis(3-carboxy-4-hydroxyphenyl)methylene]-5-carboxy-6-oxo-1,4-cyclohexadien-1-yl}methyl)-2-hydroxybenzoic acid [ACD/IUPAC Name]
5-({3-[Bis(3-carboxy-4-hydroxyphenyl)methylene]-5-carboxy-6-oxocyclohexa-1,4-dien-1-yl}methyl)-2-hydroxybenzoic acid
Acide 5-({3-[bis(3-carboxy-4-hydroxyphényl)méthylène]-5-carboxy-6-oxo-1,4-cyclohexadién-1-yl}méthyl)-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[3-[bis(3-carboxy-4-hydroxyphenyl)methylene]-5-carboxy-6-oxo-1,4-cyclohexadien-1-yl]methyl]-2-hydroxy- [ACD/Index Name]

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

Density: 1.7±0.0 g/cm3
Boiling Point: 929.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 141.7±0.0 kJ/mol
Flash Point: 529.9±0.0 °C
Index of Refraction: 1.768
Molar Refractivity: 142.4±0.0 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 6.23
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 56.4±0.0 10-24cm3
Surface Tension: 99.8±0.0 dyne/cm
Molar Volume: 343.2±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement