ChemSpider 2D Image | [4-(hydroxymethyl)-1,2,3-triazol-1-yl]acetic acid | C5H7N3O3

[4-(hydroxymethyl)-1,2,3-triazol-1-yl]acetic acid

  • Molecular FormulaC5H7N3O3
  • Average mass157.127 Da
  • Monoisotopic mass157.048737 Da
  • ChemSpider ID21436637

More details:

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

[4-(hydroxymethyl)-1,2,3-triazol-1-yl]acetic acid
[4-(Hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetic acid [ACD/IUPAC Name]
[4-(Hydroxymethyl)-1H-1,2,3-triazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-1-acetic acid, 4-(hydroxymethyl)- [ACD/Index Name]
2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetic acid
45964-27-0 [RN]
Acide [4-(hydroxyméthyl)-1H-1,2,3-triazol-1-yl]acétique [French] [ACD/IUPAC Name]
(4-Hydroxymethyl-[1,2,3]triazol-1-yl)-acetic acid
2-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)acetic acid
2-[4-(hydroxymethyl)-1,2,3-triazolyl]acetic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 456.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 229.8±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 35.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 74.2±7.0 dyne/cm
Molar Volume: 96.5±7.0 cm3

Click to predict properties on the Chemicalize site


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