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Search term: NKBMBEGQQBFSDD-JLHYYAGUSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | Methyl (5E)-2-anilino-5-(2-furylmethylene)-4-oxo-4,5-dihydro-3-thiophenecarboxylate | C17H13NO4S

Methyl (5E)-2-anilino-5-(2-furylmethylene)-4-oxo-4,5-dihydro-3-thiophenecarboxylate

  • Molecular FormulaC17H13NO4S
  • Average mass327.354 Da
  • Monoisotopic mass327.056519 Da
  • ChemSpider ID22919174
  • Double-bond stereo - Double-bond stereo


More details:






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

(5E)-2-Anilino-5-(2-furylméthylène)-4-oxo-4,5-dihydro-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 5-(2-furanylmethylene)-4,5-dihydro-4-oxo-2-(phenylamino)-, methyl ester, (5E)- [ACD/Index Name]
Methyl (5E)-2-anilino-5-(2-furylmethylene)-4-oxo-4,5-dihydro-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl (5E)-2-anilino-5-(2-furylmethylene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Methyl-(5E)-2-anilino-5-(2-furylmethylen)-4-oxo-4,5-dihydro-3-thiophencarboxylat [German] [ACD/IUPAC Name]
(E)-methyl 5-(furan-2-ylmethylene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
403714-08-9 [RN]
methyl (5E)-2-anilino-5-(furan-2-ylmethylidene)-4-oxothiophene-3-carboxylate
methyl (5E)-5-(furan-2-ylmethylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
METHYL (5E)-5-(FURAN-2-YLMETHYLIDENE)-4-OXO-2-(PHENYLAMINO)THIOPHENE-3-CARBOXYLATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 504.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 258.7±30.1 °C
Index of Refraction: 1.717
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.88
ACD/KOC (pH 5.5): 1018.85
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.88
ACD/KOC (pH 7.4): 1018.85
Polar Surface Area: 94 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 227.1±3.0 cm3

Click to predict properties on the Chemicalize site






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