ChemSpider 2D Image | Tiratricol | C14H9I3O4

Tiratricol

  • Molecular FormulaC14H9I3O4
  • Average mass621.932 Da
  • Monoisotopic mass621.763489 Da
  • ChemSpider ID5598

More details:



Featured data source



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

[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid [ACD/IUPAC Name]
[4-(4-Hydroxy-3-iodphenoxy)-3,5-diiodphenyl]essigsäure [German] [ACD/IUPAC Name]
200-086-1 [EINECS]
29OQ9EU4R1
3,3',5-Triiodo-4-(4-hydroxyphenoxy)phenylacetic Acid
3,3',5-Triiodothyroacetic acid
3,5-Diiodo-4-(3-iodo-4-hydroxyphenoxy)phenylacetic Acid
4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylacetic acid
4368
51-24-1 [RN]
More...

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

MLS000028613 [DBID]
NCGC00016227-01 [DBID]
Prestwick_439 [DBID]
Prestwick0_000202 [DBID]
Prestwick1_000202 [DBID]
SMR000058684 [DBID]
SPBio_002104 [DBID]
T7650_SIGMA [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 531.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.3±30.1 °C
Index of Refraction: 1.767
Molar Refractivity: 104.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 190.50
ACD/KOC (pH 5.5): 558.63
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 9.44
Polar Surface Area: 67 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 252.1±3.0 cm3

Click to predict properties on the Chemicalize site