ChemSpider 2D Image | 4-Cyano-2-formylbenzoic acid | C9H5NO3

4-Cyano-2-formylbenzoic acid

  • Molecular FormulaC9H5NO3
  • Average mass175.141 Da
  • Monoisotopic mass175.026947 Da
  • ChemSpider ID32867886

More details:

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

4-Cyan-2-formylbenzoesäure [German] [ACD/IUPAC Name]
4-Cyano-2-formylbenzoic acid [ACD/IUPAC Name]
Acide 4-cyano-2-formylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-cyano-2-formyl- [ACD/Index Name]
1260658-70-5 [RN]
MFCD11036373

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 343.7±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.0±3.0 kJ/mol
    Flash Point: 161.7±25.1 °C
    Index of Refraction: 1.601
    Molar Refractivity: 42.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.53
    ACD/LogD (pH 5.5): -0.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.39
    ACD/LogD (pH 7.4): -1.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 78 Å2
    Polarizability: 16.9±0.5 10-24cm3
    Surface Tension: 70.8±5.0 dyne/cm
    Molar Volume: 124.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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