ChemSpider 2D Image | CAY10650 | C28H25NO6

CAY10650

  • Molecular FormulaC28H25NO6
  • Average mass471.501 Da
  • Monoisotopic mass471.168182 Da
  • ChemSpider ID24677207

More details:

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

1233706-88-1 [RN]
1H-Indole-5-carboxylic acid, 3-(2-methyl-1-oxopropyl)-1-[2-oxo-3-(4-phenoxyphenoxy)propyl]- [ACD/Index Name]
3-(2-METHYLPROPANOYL)-1-[2-OXO-3-(4-PHENOXYPHENOXY)PROPYL]-1H-INDOLE-5-CARBOXYLIC ACID
3-(2-methylpropanoyl)-1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid
3-Isobutyryl-1-[2-oxo-3-(4-phenoxyphenoxy)propyl]-1H-indol-5-carbonsäure [German] [ACD/IUPAC Name]
3-Isobutyryl-1-[2-oxo-3-(4-phenoxyphenoxy)propyl]-1H-indole-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-isobutyryl-1-[2-oxo-3-(4-phénoxyphénoxy)propyl]-1H-indole-5-carboxylique [French] [ACD/IUPAC Name]
CAY10650
1H-Indole-5-carboxylic acid,3-(2-methyl-1-oxopropyl)-1-[2-oxo-3-(4-phenoxyphenoxy)propyl]-
3-(2-methyl-1-oxopropyl)-1-[2-oxo-3-(4-phenoxyphenoxy)propyl]-1H-indole-5-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 685.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.3±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 131.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 142.71
ACD/KOC (pH 5.5): 462.34
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 4.82
ACD/KOC (pH 7.4): 15.63
Polar Surface Area: 95 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 379.9±7.0 cm3

Click to predict properties on the Chemicalize site


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