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Search term: DAYWXJHMSOCOPN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Phenyl 3-methyl-4-(4-piperidinyloxy)-1-benzofuran-2-carboxylate | C21H21NO4

Phenyl 3-methyl-4-(4-piperidinyloxy)-1-benzofuran-2-carboxylate

  • Molecular FormulaC21H21NO4
  • Average mass351.396 Da
  • Monoisotopic mass351.147064 Da
  • ChemSpider ID28642375

More details:

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

2-Benzofurancarboxylic acid, 3-methyl-4-(4-piperidinyloxy)-, phenyl ester [ACD/Index Name]
3-Méthyl-4-(4-pipéridinyloxy)-1-benzofurane-2-carboxylate de phényle [French] [ACD/IUPAC Name]
Phenyl 3-methyl-4-(4-piperidinyloxy)-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
Phenyl-3-methyl-4-(4-piperidinyloxy)-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 526.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.2±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 99.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.91
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 3.71
ACD/KOC (pH 7.4): 21.02
Polar Surface Area: 61 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 288.6±3.0 cm3

Click to predict properties on the Chemicalize site


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