ChemSpider 2D Image | (3S)-2-Oxo-3-phenylbutanoic acid | C10H10O3

(3S)-2-Oxo-3-phenylbutanoic acid

  • Molecular FormulaC10H10O3
  • Average mass178.185 Da
  • Monoisotopic mass178.062988 Da
  • ChemSpider ID29368185

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-2-Oxo-3-phenylbutanoic acid [ACD/IUPAC Name]
(3S)-2-Oxo-3-phenylbutansäure [German] [ACD/IUPAC Name]
(3S)-3-methyl-2-oxo-3-phenylpropanoic acid
Acide (3S)-2-oxo-3-phénylbutanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-methyl-α-oxo-, (βS)- [ACD/Index Name]
(3S)-2-keto-3-phenylbutanoic acid
(3S)-2-keto-3-phenylbutyric acid
(3S)-2-oxo-3-phenylbutyric acid
(3S)-3-methyl-2-keto-3-phenylpropanoic acid
(3S)-3-methyl-2-keto-3-phenylpropionic acid
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 296.5±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.6±3.0 kJ/mol
Flash Point: 147.4±18.0 °C
Index of Refraction: 1.544
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 147.8±3.0 cm3

Click to predict properties on the Chemicalize site


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