ChemSpider 2D Image | 4-(2-Oxo-1,2-dihydro-5-pyrimidinyl)-2-thiophenecarboxylic acid | C9H6N2O3S

4-(2-Oxo-1,2-dihydro-5-pyrimidinyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC9H6N2O3S
  • Average mass222.221 Da
  • Monoisotopic mass222.009918 Da
  • ChemSpider ID30999476

More details:

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

1261934-71-7 [RN]
2-Thiophenecarboxylic acid, 4-(1,2-dihydro-2-oxo-5-pyrimidinyl)- [ACD/Index Name]
4-(2-Oxo-1,2-dihydro-5-pyrimidinyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-(2-Oxo-1,2-dihydro-5-pyrimidinyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-(2-oxo-1,2-dihydro-5-pyrimidinyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
4-(2-Hydroxypyrimidin-5-yl)thiophene-2-carboxylic acid
4-(2-Oxo-1,2-dihydropyrimidin-5-yl)thiophene-2-carboxylic acid
5-(2-Carboxythiophene-4-yl)-2-hydroxypyrimidine
95%
MFCD18316582
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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: 550.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.9±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 54.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 84.4±3.0 dyne/cm
Molar Volume: 141.6±3.0 cm3

Click to predict properties on the Chemicalize site


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