ChemSpider 2D Image | thyropropic acid | C15H11I3O4

thyropropic acid

  • Molecular FormulaC15H11I3O4
  • Average mass635.959 Da
  • Monoisotopic mass635.779114 Da
  • ChemSpider ID5599

More details:



Featured data source



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

3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid [ACD/IUPAC Name]
3-[4-(4-Hydroxy-3-iodphenoxy)-3,5-diiodphenyl]propansäure [German] [ACD/IUPAC Name]
51-26-3 [RN]
904
Acide 3-[4-(4-hydroxy-3-iodophénoxy)-3,5-diiodophényl]propanoïque [French] [ACD/IUPAC Name]
acide thyropropique [French] [INN]
ácido tiroprópico [Spanish] [INN]
acidum thyropropicum [Latin] [INN]
Benzenepropanoic acid, 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo- [ACD/Index Name]
OK7481S22O
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS081068 [DBID]
AIDS-081068 [DBID]
MLS000028680 [DBID]
SMR000058682 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.4±0.1 g/cm3
Boiling Point: 540.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.7±30.1 °C
Index of Refraction: 1.746
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 609.67
ACD/KOC (pH 5.5): 1745.21
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 8.70
ACD/KOC (pH 7.4): 24.90
Polar Surface Area: 67 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 70.5±3.0 dyne/cm
Molar Volume: 268.6±3.0 cm3

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