ChemSpider 2D Image | (3S)-3-(1H-Indol-3-yl)-2-oxobutanoate | C12H10NO3

(3S)-3-(1H-Indol-3-yl)-2-oxobutanoate

  • Molecular FormulaC12H10NO3
  • Average mass216.213 Da
  • Monoisotopic mass216.066620 Da
  • ChemSpider ID20015889

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(1H-Indol-3-yl)-2-oxobutanoat [German] [ACD/IUPAC Name]
(3S)-3-(1H-Indol-3-yl)-2-oxobutanoate [ACD/IUPAC Name]
(3S)-3-(1H-Indol-3-yl)-2-oxobutanoate [French] [ACD/IUPAC Name]
1H-Indole-3-propanoic acid, β-methyl-α-oxo-, ion(1-), (βS)- [ACD/Index Name]
(S)-3-(indol-3-yl)-2-oxobutanoate
(S)-3-(indol-3-yl)-2-oxobutyrate

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

Density:
Boiling Point: 431.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 214.9±24.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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