Found 1 result

Search term: UNYKTUMEIDYVEJ-ONEGZZNKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3E)-2-Oxo-4-[(2-thienylcarbonyl)oxy]-3-butenoic acid | C9H6O5S

(3E)-2-Oxo-4-[(2-thienylcarbonyl)oxy]-3-butenoic acid

  • Molecular FormulaC9H6O5S
  • Average mass226.206 Da
  • Monoisotopic mass225.993591 Da
  • ChemSpider ID59052103

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-2-Oxo-4-[(2-thienylcarbonyl)oxy]-3-butenoic acid [ACD/IUPAC Name]
(3E)-2-Oxo-4-[(2-thienylcarbonyl)oxy]-3-butensäure [German] [ACD/IUPAC Name]
(3e)-2-Oxo-4-[(Thiophen-2-Ylcarbonyl)oxy]but-3-Enoic Acid
2-Thiophenecarboxylic acid, (1E)-3-carboxy-3-oxo-1-propen-1-yl ester [ACD/Index Name]
Acide (3E)-2-oxo-4-[(2-thiénylcarbonyl)oxy]-3-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 362.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 173.2±27.9 °C
Index of Refraction: 1.601
Molar Refractivity: 52.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 151.7±3.0 cm3

Click to predict properties on the Chemicalize site


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