Found 3 results

Search term: ICXWGAZLLKCSAT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-2-Methyl-4-oxo-4-phenylbutanoic acid | C11H12O3

(2S)-2-Methyl-4-oxo-4-phenylbutanoic acid

  • Molecular FormulaC11H12O3
  • Average mass192.211 Da
  • Monoisotopic mass192.078644 Da
  • ChemSpider ID32809644

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Methyl-4-oxo-4-phenylbutanoic acid [ACD/IUPAC Name]
(2S)-2-Methyl-4-oxo-4-phenylbutansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-méthyl-4-oxo-4-phénylbutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, α-methyl-γ-oxo-, (αS)- [ACD/Index 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: 360.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 186.3±19.7 °C
Index of Refraction: 1.537
Molar Refractivity: 51.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.21
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 165.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement