ChemSpider 2D Image | (1Z)-N-[3-(Acetoxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-cyanoethanimidate | C13H12N3O6S

(1Z)-N-[3-(Acetoxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-cyanoethanimidate

  • Molecular FormulaC13H12N3O6S
  • Average mass338.316 Da
  • Monoisotopic mass338.045227 Da
  • ChemSpider ID95656260

  • Charge - Charge

More details:

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

(1Z)-N-[3-(Acetoxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-cyanethanimidat [German] [ACD/IUPAC Name]
(1Z)-N-[3-(Acetoxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-cyanoethanimidate [ACD/IUPAC Name]
(1Z)-N-[3-(Acétoxyméthyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-én-7-yl]-2-cyanoéthanimidate [French] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(1Z)-2-cyano-1-hydroxyethylidene]amino]-8-oxo-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 709.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 382.8±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -3.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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