Found 9 results

Search term: MF = 'C_{31}H_{27}NO_{9}'
ChemSpider 2D Image | Ethyl (2Z)-4-(3,4-dimethoxyphenyl)-6-methyl-2-{[5-(3-nitrophenyl)-2-furyl]methylene}-3-oxo-2,3,3a,4-tetrahydro-1-benzofuran-5-carboxylate | C31H27NO9

Ethyl (2Z)-4-(3,4-dimethoxyphenyl)-6-methyl-2-{[5-(3-nitrophenyl)-2-furyl]methylene}-3-oxo-2,3,3a,4-tetrahydro-1-benzofuran-5-carboxylate

  • Molecular FormulaC31H27NO9
  • Average mass557.547 Da
  • Monoisotopic mass557.168579 Da
  • ChemSpider ID24828006

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-(3,4-Diméthoxyphényl)-6-méthyl-2-{[5-(3-nitrophényl)-2-furyl]méthylène}-3-oxo-2,3,3a,4-tétrahydro-1-benzofurane-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Benzofurancarboxylic acid, 4-(3,4-dimethoxyphenyl)-2,3,3a,4-tetrahydro-6-methyl-2-[[5-(3-nitrophenyl)-2-furanyl]methylene]-3-oxo-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-4-(3,4-dimethoxyphenyl)-6-methyl-2-{[5-(3-nitrophenyl)-2-furyl]methylene}-3-oxo-2,3,3a,4-tetrahydro-1-benzofuran-5-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-4-(3,4-dimethoxyphenyl)-6-methyl-2-{[5-(3-nitrophenyl)-2-furyl]methylen}-3-oxo-2,3,3a,4-tetrahydro-1-benzofuran-5-carboxylat [German] [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: 727.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.9±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5497.89
ACD/KOC (pH 5.5): 16551.01
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5497.89
ACD/KOC (pH 7.4): 16551.01
Polar Surface Area: 130 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 405.6±5.0 cm3

Click to predict properties on the Chemicalize site


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