ChemSpider 2D Image | Methyl 5'-[(1E)-3-(4-hydroxyphenyl)-3-oxo-1-propen-1-yl]-7,7'-dimethoxy-4,4'-bi-1,3-benzodioxole-5-carboxylate | C27H22O10

Methyl 5'-[(1E)-3-(4-hydroxyphenyl)-3-oxo-1-propen-1-yl]-7,7'-dimethoxy-4,4'-bi-1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC27H22O10
  • Average mass506.458 Da
  • Monoisotopic mass506.121307 Da
  • ChemSpider ID28500099

  • Double-bond stereo - Double-bond stereo

More details:

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

[4,4'-Bi-1,3-benzodioxole]-5-carboxylic acid, 5'-[(1E)-3-(4-hydroxyphenyl)-3-oxo-1-propen-1-yl]-7,7'-dimethoxy-, methyl ester [ACD/Index Name]
5'-[(1E)-3-(4-Hydroxyphényl)-3-oxo-1-propén-1-yl]-7,7'-diméthoxy-4,4'-bi-1,3-benzodioxole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5'-[(1E)-3-(4-hydroxyphenyl)-3-oxo-1-propen-1-yl]-7,7'-dimethoxy-4,4'-bi-1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
Methyl-5'-[(1E)-3-(4-hydroxyphenyl)-3-oxo-1-propen-1-yl]-7,7'-dimethoxy-4,4'-bi-1,3-benzodioxol-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: 742.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 252.4±26.4 °C
Index of Refraction: 1.644
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 440.17
ACD/KOC (pH 5.5): 2711.69
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 309.07
ACD/KOC (pH 7.4): 1904.03
Polar Surface Area: 119 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 361.8±3.0 cm3

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