ChemSpider 2D Image | 1-(2,2-Dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid | C13H17NO8

1-(2,2-Dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid

  • Molecular FormulaC13H17NO8
  • Average mass315.276 Da
  • Monoisotopic mass315.095428 Da
  • ChemSpider ID35142292

More details:

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

1-(2,2-Dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydro-3-pyridincarbonsäure [German] [ACD/IUPAC Name]
1-(2,2-Dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid [ACD/IUPAC Name]
1-(2,2-dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid
1335210-23-5 [RN]
2,5-Pyridinedicarboxylic acid, 1-(2,2-dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-, 2-methyl ester [ACD/Index Name]
Acide 1-(2,2-diméthoxyéthyl)-5-méthoxy-6-(méthoxycarbonyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylique [French] [ACD/IUPAC Name]
1-(2,2-dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-2,5-pyridinedicarboxylic acid 2-methyl ester
1-(2,2-dimethoxyethyl)-5-methox y-6-(methoxycarbonyl)-4-oxo-1,4; -dihydropyridine-3-carboxylic acid
1-(2,2-dimethoxyethyl)-5-methoxy-4-oxo-1,4-dihydropyridine-3,6-dicarboxylic acid-6-methyl ester
1-(2,2-dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylicacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 474.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 80.8±6.0 kJ/mol
    Flash Point: 240.5±28.7 °C
    Index of Refraction: 1.536
    Molar Refractivity: 72.0±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: -1.00
    ACD/LogD (pH 5.5): -1.64
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.13
    ACD/LogD (pH 7.4): -3.45
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 112 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 53.0±5.0 dyne/cm
    Molar Volume: 231.0±5.0 cm3

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