ChemSpider 2D Image | (+)-Iopanoic acid | C11H12I3NO2

(+)-Iopanoic acid

  • Molecular FormulaC11H12I3NO2
  • Average mass570.932 Da
  • Monoisotopic mass570.800171 Da
  • ChemSpider ID32701426

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-Iopanoic acid
(2S)-2-(3-Amino-2,4,6-triiodbenzyl)butansäure [German] [ACD/IUPAC Name]
(2S)-2-(3-Amino-2,4,6-triiodobenzyl)butanoic acid [ACD/IUPAC Name]
17879-96-8 [RN]
Acide (2S)-2-(3-amino-2,4,6-triiodobenzyl)butanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-amino-α-ethyl-2,4,6-triiodo-, (αS)- [ACD/Index Name]
Iopanoic acid [BAN] [INN] [JAN] [Wiki]
IOPANOIC ACID, (+)-
WLL781TH5X
202-539-9 [EINECS]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.4±0.1 g/cm3
Boiling Point: 529.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.8±30.1 °C
Index of Refraction: 1.733
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 70.23
ACD/KOC (pH 5.5): 388.97
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 6.11
Polar Surface Area: 63 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 235.3±3.0 cm3

Click to predict properties on the Chemicalize site


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