ChemSpider 2D Image | 3-(1,2-Thiazol-3-yl)-2-propynoic acid | C6H3NO2S

3-(1,2-Thiazol-3-yl)-2-propynoic acid

  • Molecular FormulaC6H3NO2S
  • Average mass153.158 Da
  • Monoisotopic mass152.988449 Da
  • ChemSpider ID61180245

More details:

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

2-Propynoic acid, 3-(3-isothiazolyl)- [ACD/Index Name]
3-(1,2-Thiazol-3-yl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(1,2-Thiazol-3-yl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(1,2-thiazol-3-yl)-2-propynoïque [French] [ACD/IUPAC Name]
1871313-39-1 [RN]
3-(1,2-thiazol-3-yl)prop-2-ynoic acid
MFCD31463797

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

Density: 1.5±0.1 g/cm3
Boiling Point: 238.6±36.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 98.1±26.2 °C
Index of Refraction: 1.643
Molar Refractivity: 36.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 100.2±5.0 cm3

Click to predict properties on the Chemicalize site


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