ChemSpider 2D Image | (2S)-2-(1H-Indol-3-yl)pentanoic acid | C13H15NO2

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

  • Molecular FormulaC13H15NO2
  • Average mass217.264 Da
  • Monoisotopic mass217.110275 Da
  • ChemSpider ID25057550

  • 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)pentanoic acid [ACD/IUPAC Name]
(2S)-2-(1H-Indol-3-yl)pentansäure [German] [ACD/IUPAC Name]
1H-Indole-3-acetic acid, α-propyl-, (αS)- [ACD/Index Name]
Acide (2S)-2-(1H-indol-3-yl)pentanoïque [French] [ACD/IUPAC Name]
2S3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 415.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 205.0±21.8 °C
Index of Refraction: 1.626
Molar Refractivity: 63.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 20.43
ACD/KOC (pH 5.5): 201.09
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.46
Polar Surface Area: 53 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 179.6±3.0 cm3

Click to predict properties on the Chemicalize site


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