ChemSpider 2D Image | 6-(1-Hydroxyethyl)-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | C9H11NO5

6-(1-Hydroxyethyl)-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

  • Molecular FormulaC9H11NO5
  • Average mass213.187 Da
  • Monoisotopic mass213.063721 Da
  • ChemSpider ID28566734

More details:






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

4-Oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-methyl-7-oxo- [ACD/Index Name]
6-(1-Hydroxyethyl)-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
6-(1-Hydroxyethyl)-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-(1-hydroxyéthyl)-3-méthyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
15332-67-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 465.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.9±6.0 kJ/mol
Flash Point: 235.6±28.7 °C
Index of Refraction: 1.616
Molar Refractivity: 47.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -2.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 137.1±5.0 cm3

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