Found 3 results

Search term: ZYGFNEGLHJHNOK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (2S)-2-methyl-3-oxo-3-phenylpropanoate | C11H12O3

Methyl (2S)-2-methyl-3-oxo-3-phenylpropanoate

  • Molecular FormulaC11H12O3
  • Average mass192.211 Da
  • Monoisotopic mass192.078644 Da
  • ChemSpider ID122900515

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Méthyl-3-oxo-3-phénylpropanoate de méthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-methyl-β-oxo-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-2-methyl-3-oxo-3-phenylpropanoate [ACD/IUPAC Name]
Methyl-(2S)-2-methyl-3-oxo-3-phenylpropanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 261.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 109.5±19.9 °C
Index of Refraction: 1.507
Molar Refractivity: 51.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.63
ACD/KOC (pH 5.5): 225.82
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.63
ACD/KOC (pH 7.4): 225.75
Polar Surface Area: 43 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 174.3±3.0 cm3

Click to predict properties on the Chemicalize site


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