ChemSpider 2D Image | (3S)-3-Hydroxy-2-oxo-3-phenylpropanoate | C9H7O4

(3S)-3-Hydroxy-2-oxo-3-phenylpropanoate

  • Molecular FormulaC9H7O4
  • Average mass179.150 Da
  • Monoisotopic mass179.034988 Da
  • ChemSpider ID29368106

  • Charge - Charge

    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-phenylpropanoat [German] [ACD/IUPAC Name]
(3S)-3-Hydroxy-2-oxo-3-phenylpropanoate [ACD/IUPAC Name]
(3S)-3-Hydroxy-2-oxo-3-phénylpropanoate [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-hydroxy-α-oxo-, ion(1-), (βS)- [ACD/Index Name]
(S)-3-hydroxy-2-keto-3-phenylpropanoate
(S)-3-hydroxy-2-keto-3-phenylpropionate
(S)-3-hydroxy-2-oxo-3-phenylpropanoate
(S)-3-hydroxy-2-oxo-3-phenylpropionate
(S)-3-hydroxyphenylpyruvate
  • Miscellaneous

    • Chemical Class:

      A 2-oxo monocarboxylic acid anion that is the conjugate base of (S)-3-hydroxy-2-oxo-3-phenylpropanoic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:73948

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

Density:
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:
Molar Refractivity:
#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: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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