ChemSpider 2D Image | 2-Amino-5-cyano-3-methylbenzoic acid | C9H8N2O2

2-Amino-5-cyano-3-methylbenzoic acid

  • Molecular FormulaC9H8N2O2
  • Average mass176.172 Da
  • Monoisotopic mass176.058578 Da
  • ChemSpider ID26549559

More details:

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

2-Amino-5-cyan-3-methylbenzoesäure [German] [ACD/IUPAC Name]
2-Amino-5-cyano-3-methylbenzoic acid [ACD/IUPAC Name]
871239-18-8 [RN]
Acide 2-amino-5-cyano-3-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-amino-5-cyano-3-methyl- [ACD/Index Name]
2-amino-3-methyl-5-cyanobenzoic acid
2-amino-5-cyano-3-methylbenzoic acid(wx690270)
2-Amino-5-Cyano-3-Methylbenzoicacid
AB71740
AGN-PC-04ZSVL
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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: 397.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 194.2±27.9 °C
    Index of Refraction: 1.621
    Molar Refractivity: 45.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.96
    ACD/LogD (pH 5.5): -0.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.56
    ACD/LogD (pH 7.4): -1.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 71.9±5.0 dyne/cm
    Molar Volume: 130.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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