ChemSpider 2D Image | (2Z)-3-{5-[(4E)-4-Hexen-2-ynoyl]-2-furyl}acrylic acid | C13H10O4

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

  • Molecular FormulaC13H10O4
  • Average mass230.216 Da
  • Monoisotopic mass230.057907 Da
  • ChemSpider ID30777329

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-{5-[(4E)-4-Hexen-2-ynoyl]-2-furyl}acrylic acid [ACD/IUPAC Name]
(2Z)-3-{5-[(4E)-4-Hexen-2-ynoyl]-2-furyl}acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[5-[(4E)-1-oxo-4-hexen-2-yn-1-yl]-2-furanyl]-, (2Z)- [ACD/Index Name]
Acide (2Z)-3-{5-[(4E)-4-hexen-2-ynoyl]-2-furyl}acrylique [French] [ACD/IUPAC Name]
(2Z)-3-{5-[(4E)-hex-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid
117783-52-5 [RN]
3-[5-(1-Oxo-4-hexen-2-ynyl)-2-furanyl]-2-propenoic acid, 9CI
Wyeronic 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: 1.3±0.1 g/cm3
Boiling Point: 414.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 204.7±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.08
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 182.3±3.0 cm3

Click to predict properties on the Chemicalize site


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