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Search term: HPQASJUROLCNSA-VIFPVBQESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-Methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid | C13H13NO3

(2S)-2-Methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid

  • Molecular FormulaC13H13NO3
  • Average mass231.247 Da
  • Monoisotopic mass231.089539 Da
  • ChemSpider ID59051511

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid [ACD/IUPAC Name]
(2S)-2-Methyl-3-(3-phenyl-1,2-oxazol-5-yl)propansäure [German] [ACD/IUPAC Name]
5-Isoxazolepropanoic acid, α-methyl-3-phenyl-, (αS)- [ACD/Index Name]
Acide (2S)-2-méthyl-3-(3-phényl-1,2-oxazol-5-yl)propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 420.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 208.3±24.6 °C
Index of Refraction: 1.556
Molar Refractivity: 61.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 26.99
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 191.6±3.0 cm3

Click to predict properties on the Chemicalize site


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