ChemSpider 2D Image | 7-[(E)-(3-Carboxy-4-hydroxyphenyl)diazenyl]-6-hydroxy-4-methoxy-1-benzofuran-5-carboxylic acid | C17H12N2O8

7-[(E)-(3-Carboxy-4-hydroxyphenyl)diazenyl]-6-hydroxy-4-methoxy-1-benzofuran-5-carboxylic acid

  • Molecular FormulaC17H12N2O8
  • Average mass372.286 Da
  • Monoisotopic mass372.059357 Da
  • ChemSpider ID26352247

  • Double-bond stereo - Double-bond stereo

More details:

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

5-Benzofurancarboxylic acid, 7-[(E)-2-(3-carboxy-4-hydroxyphenyl)diazenyl]-6-hydroxy-4-methoxy- [ACD/Index Name]
7-[(E)-(3-Carboxy-4-hydroxyphenyl)diazenyl]-6-hydroxy-4-methoxy-1-benzofuran-5-carbonsäure [German] [ACD/IUPAC Name]
7-[(E)-(3-Carboxy-4-hydroxyphenyl)diazenyl]-6-hydroxy-4-methoxy-1-benzofuran-5-carboxylic acid [ACD/IUPAC Name]
Acide 7-[(E)-(3-carboxy-4-hydroxyphényl)diazényl]-6-hydroxy-4-méthoxy-1-benzofurane-5-carboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1242160/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 700.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 377.2±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 87.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 68.9±7.0 dyne/cm
Molar Volume: 225.9±7.0 cm3

Click to predict properties on the Chemicalize site


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