ChemSpider 2D Image | (S)-3-hydroxy-2-oxo-3-phenylpropanoic acid | C9H8O4

(S)-3-hydroxy-2-oxo-3-phenylpropanoic acid

  • Molecular FormulaC9H8O4
  • Average mass180.157 Da
  • Monoisotopic mass180.042252 Da
  • ChemSpider ID29368126

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-2-oxo-3-phenylpropanoic acid [ACD/IUPAC Name]
(3S)-3-Hydroxy-2-oxo-3-phenylpropansäure [German] [ACD/IUPAC Name]
(S)-3-hydroxy-2-oxo-3-phenylpropanoic acid
Acide (3S)-3-hydroxy-2-oxo-3-phénylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-hydroxy-α-oxo-, (βS)- [ACD/Index Name]
(S)-3-hydroxy-2-keto-3-phenylpropanoic acid
(S)-3-hydroxy-2-keto-3-phenylpropionic acid
(S)-3-hydroxy-2-oxo-3-phenylpropionic acid
(S)-3-hydroxyphenylpyruvic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 350.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 180.2±22.4 °C
Index of Refraction: 1.592
Molar Refractivity: 43.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 128.8±3.0 cm3

Click to predict properties on the Chemicalize site


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