ChemSpider 2D Image | (2S)-2-(1H-Indol-3-yl)hexanoic acid | C14H17NO2

(2S)-2-(1H-Indol-3-yl)hexanoic acid

  • Molecular FormulaC14H17NO2
  • Average mass231.290 Da
  • Monoisotopic mass231.125931 Da
  • ChemSpider ID25058959
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-(1H-Indol-3-yl)hexanoic acid [ACD/IUPAC Name]
(2S)-2-(1H-Indol-3-yl)hexansäure [German] [ACD/IUPAC Name]
1H-Indole-3-acetic acid, α-butyl-, (αS)- [ACD/Index Name]
Acide (2S)-2-(1H-indol-3-yl)hexanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 424.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.6±21.8 °C
Index of Refraction: 1.612
Molar Refractivity: 68.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 46.73
ACD/KOC (pH 5.5): 364.13
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.28
Polar Surface Area: 53 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 196.1±3.0 cm3

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