ChemSpider 2D Image | 4-{1-[4-Hydroxy-5-(methoxycarbonyl)-2-oxo-1,2-dihydro-3-pyridinyl]-3-methoxy-3-oxopropyl}benzoic acid | C18H17NO8

4-{1-[4-Hydroxy-5-(methoxycarbonyl)-2-oxo-1,2-dihydro-3-pyridinyl]-3-methoxy-3-oxopropyl}benzoic acid

  • Molecular FormulaC18H17NO8
  • Average mass375.329 Da
  • Monoisotopic mass375.095428 Da
  • ChemSpider ID34496786

More details:

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

3-Pyridinepropanoic acid, β-(4-carboxyphenyl)-1,2-dihydro-4-hydroxy-5-(methoxycarbonyl)-2-oxo-, α-methyl ester [ACD/Index Name]
4-{1-[4-Hydroxy-5-(methoxycarbonyl)-2-oxo-1,2-dihydro-3-pyridinyl]-3-methoxy-3-oxopropyl}benzoesäure [German] [ACD/IUPAC Name]
4-{1-[4-Hydroxy-5-(methoxycarbonyl)-2-oxo-1,2-dihydro-3-pyridinyl]-3-methoxy-3-oxopropyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{1-[4-hydroxy-5-(méthoxycarbonyl)-2-oxo-1,2-dihydro-3-pyridinyl]-3-méthoxy-3-oxopropyl}benzoïque [French] [ACD/IUPAC Name]
1676078-80-0 [RN]
4-(1-(4-hydroxy-5-(methoxycarbonyl)-2-oxo-1,2-dihydropyridin-3-yl)-3-methoxy-3-oxopropyl)benzoic acid
4-[1-(4-hydroxy-5-methoxycarbonyl-2-oxo-1H-pyridin-3-yl)-3-methoxy-3-oxopropyl]benzoic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 610.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.3±3.0 kJ/mol
    Flash Point: 323.0±31.5 °C
    Index of Refraction: 1.613
    Molar Refractivity: 90.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.44
    ACD/LogD (pH 5.5): -1.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 139 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 66.5±3.0 dyne/cm
    Molar Volume: 258.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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