ChemSpider 2D Image | 3-(Allyloxy)-5-nitro-2-thiophenecarboxylic acid | C8H7NO5S

3-(Allyloxy)-5-nitro-2-thiophenecarboxylic acid

  • Molecular FormulaC8H7NO5S
  • Average mass229.210 Da
  • Monoisotopic mass229.004486 Da
  • ChemSpider ID35492446

More details:






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

2-Thiophenecarboxylic acid, 5-nitro-3-(2-propen-1-yloxy)- [ACD/Index Name]
3-(Allyloxy)-5-nitro-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-(Allyloxy)-5-nitro-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 3-(allyloxy)-5-nitro-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
1707568-96-4 [RN]
3-(Allyloxy)-5-nitrothiophene-2-carboxylic acid
3-Allyloxy-5-nitro-thiophene-2-carboxylic acid
5-nitro-3-prop-2-enoxythiophene-2-carboxylic acid
MFCD26129659

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 419.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 207.5±28.7 °C
Index of Refraction: 1.609
Molar Refractivity: 53.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 155.4±3.0 cm3

Click to predict properties on the Chemicalize site






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