Found 20 results

Search term: MF = 'C_{17}H_{8}O_{4}'
ChemSpider 2D Image | 3-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethynyl]-5-ethynylbenzoic acid | C17H8O4

3-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethynyl]-5-ethynylbenzoic acid

  • Molecular FormulaC17H8O4
  • Average mass276.243 Da
  • Monoisotopic mass276.042267 Da
  • ChemSpider ID81594833

More details:

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

3-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethinyl]-5-ethinylbenzoesäure [German] [ACD/IUPAC Name]
3-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethynyl]-5-ethynylbenzoic acid [ACD/IUPAC Name]
Acide 3-[(3,6-dioxo-1,4-cyclohexadién-1-yl)éthynyl]-5-éthynylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-(3,6-dioxo-1,4-cyclohexadien-1-yl)ethynyl]-5-ethynyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 508.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 275.5±26.6 °C
Index of Refraction: 1.676
Molar Refractivity: 72.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 17.10
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
Polar Surface Area: 71 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 75.7±5.0 dyne/cm
Molar Volume: 193.9±5.0 cm3

Click to predict properties on the Chemicalize site


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