ChemSpider 2D Image | 3-(3,4-Dimethoxybenzyl)-4-methoxy-4-oxobutanoic acid | C14H18O6

3-(3,4-Dimethoxybenzyl)-4-methoxy-4-oxobutanoic acid

  • Molecular FormulaC14H18O6
  • Average mass282.289 Da
  • Monoisotopic mass282.110352 Da
  • ChemSpider ID26460549

More details:






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

3-(3,4-Dimethoxybenzyl)-4-methoxy-4-oxobutanoic acid [ACD/IUPAC Name]
3-(3,4-Dimethoxybenzyl)-4-methoxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 3-(3,4-diméthoxybenzyl)-4-méthoxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(3,4-dimethoxyphenyl)methyl]-, 1-methyl ester [ACD/Index Name]
2-(3,4-Dimethoxy-benzyl)-succinic acid 1-methyl ester
4-(3,4-dimethoxyphenyl)-3-(methoxycarbonyl)butanoic acid
78647-52-6 [RN]
Butanedioic acid, [(3,4-dimethoxyphenyl)methyl]-, 1-methyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 426.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 155.8±22.2 °C
Index of Refraction: 1.517
Molar Refractivity: 71.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.45
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 234.8±3.0 cm3

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