ChemSpider 2D Image | 5-Phthalazinecarboxylic acid | C9H6N2O2

5-Phthalazinecarboxylic acid

  • Molecular FormulaC9H6N2O2
  • Average mass174.156 Da
  • Monoisotopic mass174.042923 Da
  • ChemSpider ID30804471

More details:

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

1104070-94-1 [RN]
5-Phthalazincarbonsäure [German] [ACD/IUPAC Name]
5-Phthalazinecarboxylic acid [ACD/Index Name] [ACD/IUPAC Name]
Acide 5-phtalazinecarboxylique [French] [ACD/IUPAC Name]
Phthalazine-5-carboxylic acid
1-(14-Hydroxy-3,6,9,12-tetraoxatetradecyl)-1H-pyrrole-2,5-dione
MFCD20275283
O=C(C1=CC=CC2=C1C=NN=C2)O
PHTHALAZINE-5-CARBOXYLIC ACID|PHTHALAZINE-5-CARBOXYLIC ACID

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 496.4±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.5±3.0 kJ/mol
    Flash Point: 254.0±21.2 °C
    Index of Refraction: 1.697
    Molar Refractivity: 47.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.14
    ACD/LogD (pH 5.5): -1.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 63 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 75.8±3.0 dyne/cm
    Molar Volume: 122.5±3.0 cm3

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