Found 4 results

Search term: FNFKPRUOPAVSKA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-{(E)-[1-(2-Furylmethyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid | C20H17NO6

4-{(E)-[1-(2-Furylmethyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid

  • Molecular FormulaC20H17NO6
  • Average mass367.352 Da
  • Monoisotopic mass367.105591 Da
  • ChemSpider ID30568884

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-3-carboxylic acid, 4-[(4-carboxyphenyl)methylene]-1-(2-furanylmethyl)-4,5-dihydro-2-methyl-5-oxo-, 3-methyl ester, (4E)- [ACD/Index Name]
4-{(E)-[1-(2-Furylmethyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-yliden]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{(E)-[1-(2-Furylmethyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{(E)-[1-(2-furylméthyl)-4-(méthoxycarbonyl)-5-méthyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidène]méthyl}benzoïque [French] [ACD/IUPAC 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: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 325.9±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 12.77
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 264.6±3.0 cm3

Click to predict properties on the Chemicalize site


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