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Search term: MF = 'C_{13}H_{9}NO_{4}'
ChemSpider 2D Image | 5-(3-Carboxyphenyl)nicotinic acid | C13H9NO4

5-(3-Carboxyphenyl)nicotinic acid

  • Molecular FormulaC13H9NO4
  • Average mass243.215 Da
  • Monoisotopic mass243.053162 Da
  • ChemSpider ID28295302

More details:

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

1261976-89-9 [RN]
3-Pyridinecarboxylic acid, 5-(3-carboxyphenyl)- [ACD/Index Name]
5-(3-Carboxyphenyl)nicotinic acid [ACD/IUPAC Name]
5-(3-Carboxyphenyl)nicotinsäure [German] [ACD/IUPAC Name]
5-(3-Carboxyphenyl)pyridine-3-carboxylic acid
Acide 5-(3-carboxyphényl)nicotinique [French] [ACD/IUPAC Name]
[1261976-89-9] [RN]
95%
MFCD18317323
YA-6893

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

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 557.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.3±3.0 kJ/mol
    Flash Point: 290.7±28.7 °C
    Index of Refraction: 1.646
    Molar Refractivity: 62.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): -1.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.79
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 69.2±3.0 dyne/cm
    Molar Volume: 173.0±3.0 cm3

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