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Search term: IWQOQDRXYBIVOA (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2Z)-2-(2,3-Dimethoxybenzylidene)-6-hydroxy-4-methyl-5,7-bis(1-pyrrolidinylmethyl)-1-benzofuran-3(2H)-one | C28H34N2O5

(2Z)-2-(2,3-Dimethoxybenzylidene)-6-hydroxy-4-methyl-5,7-bis(1-pyrrolidinylmethyl)-1-benzofuran-3(2H)-one

  • Molecular FormulaC28H34N2O5
  • Average mass478.580 Da
  • Monoisotopic mass478.246765 Da
  • ChemSpider ID21827278
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-2-(2,3-Dimethoxybenzyliden)-6-hydroxy-4-methyl-5,7-bis(1-pyrrolidinylmethyl)-1-benzofuran-3(2H)-on [German] [ACD/IUPAC Name]
(2Z)-2-(2,3-Dimethoxybenzylidene)-6-hydroxy-4-methyl-5,7-bis(1-pyrrolidinylmethyl)-1-benzofuran-3(2H)-one [ACD/IUPAC Name]
(2Z)-2-(2,3-Diméthoxybenzylidène)-6-hydroxy-4-méthyl-5,7-bis(1-pyrrolidinylméthyl)-1-benzofuran-3(2H)-one [French] [ACD/IUPAC Name]
(2Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-4-methyl-5,7-bis(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one
3(2H)-Benzofuranone, 2-[(2,3-dimethoxyphenyl)methylene]-6-hydroxy-4-methyl-5,7-bis(1-pyrrolidinylmethyl)-, (2Z)- [ACD/Index Name]
(Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-4-methyl-5,7-bis(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one
2-[(2,3-dimethoxyphenyl)methylene]-5,7-bis(pyrrolidinylmethyl)-6-hydroxy-4-methylbenzo[b]furan-3-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 352.0±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 373.9±3.0 cm3

Click to predict properties on the Chemicalize site





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