ChemSpider 2D Image | Indo-1 | C32H31N3O12

Indo-1

  • Molecular FormulaC32H31N3O12
  • Average mass649.601 Da
  • Monoisotopic mass649.190796 Da
  • ChemSpider ID94791

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

2-{4-[Bis(carboxymethyl)amino]-3-(2-{2-[bis(carboxymethyl)amino]-5-methylphenoxy}ethoxy)phenyl}-1H-indol-6-carbonsäure [German] [ACD/IUPAC Name]
2-{4-[Bis(carboxymethyl)amino]-3-(2-{2-[bis(carboxymethyl)amino]-5-methylphenoxy}ethoxy)phenyl}-1H-indole-6-carboxylic acid [ACD/IUPAC Name]
Acide 2-{4-[bis(carboxyméthyl)amino]-3-(2-{2-[bis(carboxyméthyl)amino]-5-méthylphénoxy}éthoxy)phényl}-1H-indole-6-carboxylique [French] [ACD/IUPAC Name]
Indo-1
1H-Indole-6-carboxylic acid, 2-(4-(bis(carboxymethyl)amino)-3-(2-(2-(bis(carboxymethyl)amino)-5-methylphenoxy)ethoxy)phenyl)-
2-(4-(Bis(carboxymethyl)amino)-3-(2-(2-(bis(carboxymethyl)amino)-5-methylphenoxy)ethoxy)phenyl)-1H-indole-6-carboxylic acid
2-(4-[bis(carboxymethyl)amino]-3-{[2-({2-[bis(carboxymethyl)amino]-5-methylphenyl}oxy)ethyl]oxy}phenyl)-1H-indole-6-carboxylic acid
96314-96-4 [RN]
Indo 1
Indo-1 dye

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1016.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.5±3.0 kJ/mol
Flash Point: 568.4±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 165.9±0.3 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 2.57
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 82.7±3.0 dyne/cm
Molar Volume: 425.4±3.0 cm3

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