ChemSpider 2D Image | (2Z)-3-{5-[(4Z)-4-Hepten-2-ynoyl]-2-furyl}acrylic acid | C14H12O4

(2Z)-3-{5-[(4Z)-4-Hepten-2-ynoyl]-2-furyl}acrylic acid

  • Molecular FormulaC14H12O4
  • Average mass244.243 Da
  • Monoisotopic mass244.073563 Da
  • ChemSpider ID30776870

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-{5-[(4Z)-4-Hepten-2-ynoyl]-2-furyl}acrylic acid [ACD/IUPAC Name]
(2Z)-3-{5-[(4Z)-4-Hepten-2-ynoyl]-2-furyl}acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[5-[(4Z)-1-oxo-4-hepten-2-yn-1-yl]-2-furanyl]-, (2Z)- [ACD/Index Name]
Acide (2Z)-3-{5-[(4Z)-4-hepten-2-ynoyl]-2-furyl}acrylique [French] [ACD/IUPAC Name]
(2E,11Z)-Wyerone acid
(2Z)-3-{5-[(4Z)-hept-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid
54954-14-2 [RN]
Wyerone acid

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 424.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 210.3±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 9.36
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 198.8±3.0 cm3

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