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400083-93-4,MFCD02571820
Catalog No.:AA00IU9N

400083-93-4 | methyl 2-[1-(1,1-dioxo-1lambda6-thiolan-3-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate

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Technical Information
Catalog Number:
AA00IU9N
Chemical Name:
methyl 2-[1-(1,1-dioxo-1lambda6-thiolan-3-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
CAS Number:
400083-93-4
Molecular Formula:
C10H14N2O5S
Molecular Weight:
274.2936
MDL Number:
MFCD02571820
SMILES:
COC(=O)CC1=NN(C(=O)C1)C1CCS(=O)(=O)C1
Properties
Computed Properties
 
Complexity:
505  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.7  

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SDS
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Tags:400083-93-4 Molecular Formula|400083-93-4 MDL|400083-93-4 SMILES|400083-93-4 methyl 2-[1-(1,1-dioxo-1lambda6-thiolan-3-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate