ChemSpider 2D Image | 4-[4-(Hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzoic acid | C10H9N3O3

4-[4-(Hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzoic acid

  • Molecular FormulaC10H9N3O3
  • Average mass219.197 Da
  • Monoisotopic mass219.064392 Da
  • ChemSpider ID25930649

More details:

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

4-[4-(Hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzoesäure [German] [ACD/IUPAC Name]
4-[4-(Hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 4-[4-(hydroxyméthyl)-1H-1,2,3-triazol-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]- [ACD/Index Name]
1257388-92-3 [RN]
MFCD19268706

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

Density: 1.5±0.1 g/cm3
Boiling Point: 502.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 257.6±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 56.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 64.6±7.0 dyne/cm
Molar Volume: 148.7±7.0 cm3

Click to predict properties on the Chemicalize site


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