Found 11 results

Search term: YPGCWEMNNLXISK (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2S)-2-Phenylpropanoate | C9H9O2

(2S)-2-Phenylpropanoate

  • Molecular FormulaC9H9O2
  • Average mass149.167 Da
  • Monoisotopic mass149.060806 Da
  • ChemSpider ID34974344
  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Phenylpropanoate [ACD/IUPAC Name]
(2S)-2-Phénylpropanoate [French] [ACD/IUPAC Name]
(2S)Hydratropaat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-methyl-, ion(1-), (αS)- [ACD/Index Name]
(S)-2-phenylpropionic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 261.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 154.3±13.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.69
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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