ChemSpider 2D Image | 2-Oxo-3-[(tetrahydro-2-furanylmethyl)carbamoyl]-2H-chromen-7-yl (2E)-3-(3,4-diethoxyphenyl)acrylate | C28H29NO8

2-Oxo-3-[(tetrahydro-2-furanylmethyl)carbamoyl]-2H-chromen-7-yl (2E)-3-(3,4-diethoxyphenyl)acrylate

  • Molecular FormulaC28H29NO8
  • Average mass507.532 Da
  • Monoisotopic mass507.189331 Da
  • ChemSpider ID12130800

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3,4-Diéthoxyphényl)acrylate de 2-oxo-3-[(tétrahydro-2-furanylméthyl)carbamoyl]-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2-Oxo-3-[(tetrahydro-2-furanylmethyl)carbamoyl]-2H-chromen-7-yl (2E)-3-(3,4-diethoxyphenyl)acrylate [ACD/IUPAC Name]
2-Oxo-3-[(tetrahydro-2-furanylmethyl)carbamoyl]-2H-chromen-7-yl-(2E)-3-(3,4-diethoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Oxo-3-[(tetrahydrofuran-2-ylmethyl)carbamoyl]-2H-chromen-7-yl (2E)-3-(3,4-diethoxyphenyl)acrylate
2-Propenoic acid, 3-(3,4-diethoxyphenyl)-, 2-oxo-3-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]-2H-1-benzopyran-7-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 763.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.8±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.85
ACD/KOC (pH 5.5): 1219.67
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.85
ACD/KOC (pH 7.4): 1219.64
Polar Surface Area: 109 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 398.4±3.0 cm3

Click to predict properties on the Chemicalize site


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