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439096-88-5,MFCD03012784
Catalog No.:AA00IN3E

439096-88-5 | 3-(2H-1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)propanoic acid

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Technical Information
Catalog Number:
AA00IN3E
Chemical Name:
3-(2H-1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)propanoic acid
CAS Number:
439096-88-5
Molecular Formula:
C14H17NO6S
Molecular Weight:
327.3529
MDL Number:
MFCD03012784
SMILES:
OC(=O)CC(c1ccc2c(c1)OCO2)N1CCS(=O)(=O)CC1
Properties
Computed Properties
 
Complexity:
502  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-2  

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SDS
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Tags:439096-88-5 Molecular Formula|439096-88-5 MDL|439096-88-5 SMILES|439096-88-5 3-(2H-1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)propanoic acid