ChemSpider 2D Image | (7s)-3-Hydroxy-4,5,6,7-Tetrahydroisoxazolo[5,4-C]pyridine-7-Carboxylic Acid | C7H8N2O4

(7s)-3-Hydroxy-4,5,6,7-Tetrahydroisoxazolo[5,4-C]pyridine-7-Carboxylic Acid

  • Molecular FormulaC7H8N2O4
  • Average mass184.149 Da
  • Monoisotopic mass184.048401 Da
  • ChemSpider ID26327590
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(7s)-3-Hydroxy-4,5,6,7-Tetrahydroisoxazolo[5,4-C]pyridine-7-Carboxylic Acid
(7S)-3-Oxo-2,3,4,5,6,7-hexahydro[1,2]oxazolo[5,4-c]pyridin-7-carbonsäure [German] [ACD/IUPAC Name]
(7S)-3-Oxo-2,3,4,5,6,7-hexahydro[1,2]oxazolo[5,4-c]pyridine-7-carboxylic acid [ACD/IUPAC Name]
Acide (7S)-3-oxo-2,3,4,5,6,7-hexahydro[1,2]oxazolo[5,4-c]pyridine-7-carboxylique [French] [ACD/IUPAC Name]
Isoxazolo[5,4-c]pyridine-7-carboxylic acid, 2,3,4,5,6,7-hexahydro-3-oxo-, (7S)- [ACD/Index Name]
HA7

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

Density: 1.5±0.1 g/cm3
Boiling Point: 486.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 247.8±28.7 °C
Index of Refraction: 1.590
Molar Refractivity: 40.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -3.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 119.0±3.0 cm3

Click to predict properties on the Chemicalize site






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