ChemSpider 2D Image | 3-(5-Formyl-2-furyl)-2-propynoic acid | C8H4O4

3-(5-Formyl-2-furyl)-2-propynoic acid

  • Molecular FormulaC8H4O4
  • Average mass164.115 Da
  • Monoisotopic mass164.010956 Da
  • ChemSpider ID65408286

More details:

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

2-Propynoic acid, 3-(5-formyl-2-furanyl)- [ACD/Index Name]
3-(5-Formyl-2-furyl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(5-Formyl-2-furyl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(5-formyl-2-furyl)-2-propynoïque [French] [ACD/IUPAC Name]
2168575-41-3 [RN]
3-(5-formylfuran-2-yl)prop-2-ynoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 404.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 198.6±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 37.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 112.9±5.0 cm3

Click to predict properties on the Chemicalize site


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