ChemSpider 2D Image | (2E)-3-(1,3-Thiazol-4-yl)acrylic acid | C6H5NO2S

(2E)-3-(1,3-Thiazol-4-yl)acrylic acid

  • Molecular FormulaC6H5NO2S
  • Average mass155.174 Da
  • Monoisotopic mass155.004105 Da
  • ChemSpider ID26053341

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(1,3-Thiazol-4-yl)acrylic acid [ACD/IUPAC Name]
(2E)-3-(1,3-Thiazol-4-yl)acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-thiazolyl)-, (2E)- [ACD/Index Name]
3-(1,3-thiazol-4-yl)prop-2-enoic acid
Acide (2E)-3-(1,3-thiazol-4-yl)acrylique [French] [ACD/IUPAC Name]
MFCD11180956 [MDL number]
(2E)-3-(1,3-thiazol-4-yl)prop-2-enoic acid
133047-17-3 [RN]
1590410-45-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 334.9±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 156.3±20.9 °C
Index of Refraction: 1.669
Molar Refractivity: 40.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 107.7±3.0 cm3

Click to predict properties on the Chemicalize site


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