ChemSpider 2D Image | Amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid | C5H7ClN2O3

Amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid

  • Molecular FormulaC5H7ClN2O3
  • Average mass178.574 Da
  • Monoisotopic mass178.014526 Da
  • ChemSpider ID26372847
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

5-Isoxazoleacetic acid, α-amino-3-chloro-4,5-dihydro-, (5S)- [ACD/Index Name]
Acide amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acétique [French] [ACD/IUPAC Name]
Amino[(5S)-3-chlor-4,5-dihydro-1,2-oxazol-5-yl]essigsäure [German] [ACD/IUPAC Name]
Amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 341.6±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.3±6.0 kJ/mol
Flash Point: 160.4±29.6 °C
Index of Refraction: 1.664
Molar Refractivity: 35.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 96.3±7.0 cm3

Click to predict properties on the Chemicalize site






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