ChemSpider 2D Image | 5-tetrazolylisophthalic acid | C9H6N4O4

5-tetrazolylisophthalic acid

  • Molecular FormulaC9H6N4O4
  • Average mass234.168 Da
  • Monoisotopic mass234.038910 Da
  • ChemSpider ID25941302

More details:

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

1,3-Benzenedicarboxylic acid, 5-(1H-tetrazol-5-yl)- [ACD/Index Name]
5-(1H-Tetrazol-5-yl)isophthalic acid [ACD/IUPAC Name]
5-(1H-Tetrazol-5-yl)isophthalsäure [German] [ACD/IUPAC Name]
5-tetrazolylisophthalic acid
Acide 5-(1H-tétrazol-5-yl)isophtalique [French] [ACD/IUPAC Name]
1,3-Benzenedicarboxylic acid, 5-(2H-tetrazol-5-yl)-
1010116-95-6 [RN]
5-(1H-Tetrazole-5-yl)isophthalic acid
5-(2H-1,2,3,4-tetrazol-5-yl)benzene-1,3-dicarboxylic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 649.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 346.4±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 53.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -3.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 110.8±3.0 dyne/cm
Molar Volume: 137.8±3.0 cm3

Click to predict properties on the Chemicalize site


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