ChemSpider 2D Image | Metrizoic acid | C12H11I3N2O4

Metrizoic acid

  • Molecular FormulaC12H11I3N2O4
  • Average mass627.940 Da
  • Monoisotopic mass627.785278 Da
  • ChemSpider ID2433

More details:

Featured data source
The Merck Index Online

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

1949-45-7 [RN]
217-761-1 [EINECS]
3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoic acid
3-(acetylamino)-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acid
3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
Acide 3-acétamido-5-[acétyl(méthyl)amino]-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
acide metrizoique [French]
acidum metrizoicum [Latin]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CM1N99QR1M [DBID]
AIDS156061 [DBID]
AIDS-156061 [DBID]
BRN 2822724 [DBID]
C14165 [DBID]
NSC107431 [DBID]
UNII:CM1N99QR1M [DBID]
UNII-CM1N99QR1M [DBID]

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

    Density: 2.5±0.1 g/cm3
    Boiling Point: 678.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.7±3.0 kJ/mol
    Flash Point: 364.3±31.5 °C
    Index of Refraction: 1.771
    Molar Refractivity: 105.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 1.17
    ACD/LogD (pH 5.5): -0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 41.7±0.5 10-24cm3
    Surface Tension: 76.1±3.0 dyne/cm
    Molar Volume: 252.9±3.0 cm3

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