ChemSpider 2D Image | 2-Hydroxy-N-[(1R,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid | C13H11NO5

2-Hydroxy-N-[(1R,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid

  • Molecular FormulaC13H11NO5
  • Average mass261.230 Da
  • Monoisotopic mass261.063721 Da
  • ChemSpider ID57262674

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Hydroxy-N-[(1R,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid [ACD/IUPAC Name]
2-Hydroxy-N-[(1R,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzolcarboximidsäure [German] [ACD/IUPAC Name]
Acide 2-hydroxy-N-[(1R,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-én-3-yl]benzènecarboximidique [French] [ACD/IUPAC Name]
Benzenecarboximidic acid, 2-hydroxy-N-[(1R,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]- [ACD/Index Name]
287194-38-1 [RN]
Trans-2-hydroxy-N-(2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)benzamide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 560.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.6±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 62.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 65.18
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.06
Polar Surface Area: 103 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 70.1±7.0 dyne/cm
Molar Volume: 156.7±7.0 cm3

Click to predict properties on the Chemicalize site


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