ChemSpider 2D Image | 4-[5-(3,4-Dihydroxyphenyl)-2H-tetrazol-2-yl]butanoic acid | C11H12N4O4

4-[5-(3,4-Dihydroxyphenyl)-2H-tetrazol-2-yl]butanoic acid

  • Molecular FormulaC11H12N4O4
  • Average mass264.237 Da
  • Monoisotopic mass264.085846 Da
  • ChemSpider ID23497628

More details:

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

2H-Tetrazole-2-butanoic acid, 5-(3,4-dihydroxyphenyl)- [ACD/Index Name]
4-[5-(3,4-Dihydroxyphenyl)-2H-tetrazol-2-yl]butanoic acid [ACD/IUPAC Name]
4-[5-(3,4-Dihydroxyphenyl)-2H-tetrazol-2-yl]butansäure [German] [ACD/IUPAC Name]
Acide 4-[5-(3,4-dihydroxyphényl)-2H-tétrazol-2-yl]butanoïque [French] [ACD/IUPAC Name]
4-[5-(3,4-dihydroxyphenyl)-1,2,3,4-tetraazol-2-yl]butanoic acid
4-[5-(3,4-Dihydroxyphenyl)-2H-tetraazol-2-yl]butanoic acid
4-[5-(3,4-Dihydroxy-phenyl)-tetrazol-2-yl]-butyric acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 612.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.1±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 64.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.41
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 71.8±7.0 dyne/cm
Molar Volume: 166.8±7.0 cm3

Click to predict properties on the Chemicalize site


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