ChemSpider 2D Image | (2E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid | C12H12O5

(2E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid

  • Molecular FormulaC12H12O5
  • Average mass236.221 Da
  • Monoisotopic mass236.068466 Da
  • ChemSpider ID26470766

More details:

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

(2E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-(3,4-dimethoxyphenyl)-4-oxo-, (2E)- [ACD/Index Name]
Acide (2E)-4-(3,4-diméthoxyphényl)-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
2-Butenoic acid, 4-(3,4-dimethoxyphenyl)-4-oxo- [ACD/Index Name]
4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid [ACD/IUPAC Name]
4-(3,4-Dimethoxyphenyl)-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid
80937-23-1 [RN]
Acide 4-(3,4-diméthoxyphényl)-4-oxo-2-buténoïque [French] [ACD/IUPAC 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: 422.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 164.1±22.2 °C
Index of Refraction: 1.549
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 190.2±3.0 cm3

Click to predict properties on the Chemicalize site


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