ChemSpider 2D Image | 4-(3,4-Dimethoxyphenyl)-3-(methoxycarbonyl)-3-butenoic acid | C14H16O6

4-(3,4-Dimethoxyphenyl)-3-(methoxycarbonyl)-3-butenoic acid

  • Molecular FormulaC14H16O6
  • Average mass280.273 Da
  • Monoisotopic mass280.094696 Da
  • ChemSpider ID26460494

More details:

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

4-(3,4-Dimethoxyphenyl)-3-(methoxycarbonyl)-3-butenoic acid [ACD/IUPAC Name]
4-(3,4-Dimethoxyphenyl)-3-(methoxycarbonyl)-3-butensäure [German] [ACD/IUPAC Name]
78647-51-5 [RN]
Acide 4-(3,4-diméthoxyphényl)-3-(méthoxycarbonyl)-3-buténoïque [French] [ACD/IUPAC Name]
Butanedioic acid, [(3,4-dimethoxyphenyl)methylene]-, 1-methyl ester
Butanedioic acid, 2-[(3,4-dimethoxyphenyl)methylene]-, 1-methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 454.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 169.2±22.2 °C
Index of Refraction: 1.556
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.17
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 225.8±3.0 cm3

Click to predict properties on the Chemicalize site


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