ChemSpider 2D Image | 4-{[3-(2,5-Dioxo-2,5-dihydro-3-furanyl)-2-propynoyl]amino}benzoic acid | C14H7NO6

4-{[3-(2,5-Dioxo-2,5-dihydro-3-furanyl)-2-propynoyl]amino}benzoic acid

  • Molecular FormulaC14H7NO6
  • Average mass285.208 Da
  • Monoisotopic mass285.027344 Da
  • ChemSpider ID94168083

More details:

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

4-{[3-(2,5-Dioxo-2,5-dihydro-3-furanyl)-2-propynoyl]amino}benzoesäure [German] [ACD/IUPAC Name]
4-{[3-(2,5-Dioxo-2,5-dihydro-3-furanyl)-2-propynoyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 4-{[3-(2,5-dioxo-2,5-dihydro-3-furanyl)-2-propynoyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-(2,5-dihydro-2,5-dioxo-3-furanyl)-1-oxo-2-propyn-1-yl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 66.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.53
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 84.8±5.0 dyne/cm
Molar Volume: 178.0±5.0 cm3

Click to predict properties on the Chemicalize site


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