ChemSpider 2D Image | 4-[6-(3-Hydroxyphenyl)-2-pyrazinyl]benzoic acid | C17H12N2O3

4-[6-(3-Hydroxyphenyl)-2-pyrazinyl]benzoic acid

  • Molecular FormulaC17H12N2O3
  • Average mass292.289 Da
  • Monoisotopic mass292.084778 Da
  • ChemSpider ID35035126

More details:

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

4-[6-(3-Hydroxyphenyl)-2-pyrazinyl]benzoesäure [German] [ACD/IUPAC Name]
4-[6-(3-Hydroxyphenyl)-2-pyrazinyl]benzoic acid [ACD/IUPAC Name]
4-[6-(3-Hydroxyphenyl)pyrazin-2-Yl]benzoic Acid
Acide 4-[6-(3-hydroxyphényl)-2-pyrazinyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[6-(3-hydroxyphenyl)-2-pyrazinyl]- [ACD/Index Name]
3DL
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3359881/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.6±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 20.54
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 83 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 217.4±3.0 cm3

Click to predict properties on the Chemicalize site


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