ChemSpider 2D Image | 5-[(E)-{4-[(2-Carboxyethyl)carbamoyl]phenyl}diazenyl]-2-hydroxy(~2~H_3_)benzoic acid | C17H12D3N3O6

5-[(E)-{4-[(2-Carboxyethyl)carbamoyl]phenyl}diazenyl]-2-hydroxy(2H3)benzoic acid

  • Molecular FormulaC17H12D3N3O6
  • Average mass360.336 Da
  • Monoisotopic mass360.114929 Da
  • ChemSpider ID28573292

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

5-[(E)-{4-[(2-Carboxyethyl)carbamoyl]phenyl}diazenyl]-2-hydroxy(2H3)benzoesäure [German] [ACD/IUPAC Name]
5-[(E)-{4-[(2-Carboxyethyl)carbamoyl]phenyl}diazenyl]-2-hydroxy(2H3)benzoic acid [ACD/IUPAC Name]
Acide 5-[(E)-{4-[(2-carboxyéthyl)carbamoyl]phényl}diazényl]-2-hydroxy(2H3)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,4,5-d3 acid, 3-[(E)-2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]diazenyl]-6-hydroxy- [ACD/Index Name]
1246834-21-8 [RN]
BALSALAZIDE-D3

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 729.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.8±3.0 kJ/mol
    Flash Point: 395.0±32.9 °C
    Index of Refraction: 1.650
    Molar Refractivity: 90.1±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.70
    ACD/LogD (pH 5.5): -1.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 149 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 62.5±7.0 dyne/cm
    Molar Volume: 247.0±7.0 cm3

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