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Home Amines 100988-63-4
100988-63-4
Catalog No.:AA0003AT

100988-63-4 | Pyridinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, iodide (1:1)

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Technical Information
Catalog Number:
AA0003AT
Chemical Name:
Pyridinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, iodide (1:1)
CAS Number:
100988-63-4
Molecular Formula:
C13H14IN3O3S
Molecular Weight:
419.2380
SMILES:
N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccccc1.[I-]
Properties
Computed Properties
 
Complexity:
474  
Covalently-Bonded Unit Count:
2  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
2  

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SDS
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Tags:100988-63-4 Molecular Formula|100988-63-4 MDL|100988-63-4 SMILES|100988-63-4 Pyridinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, iodide (1:1)