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1042613-44-4,MFCD13195929
Catalog No.:AA019WXV

1042613-44-4 | 2-{[4-(3-methylphenyl)piperazin-1-yl]sulfonyl}acetic acid

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Technical Information
Catalog Number:
AA019WXV
Chemical Name:
2-{[4-(3-methylphenyl)piperazin-1-yl]sulfonyl}acetic acid
CAS Number:
1042613-44-4
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
MDL Number:
MFCD13195929
SMILES:
Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)CC(=O)O
Properties
Computed Properties
 
Complexity:
438  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
1.1  

Literature
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SDS
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Tags:1042613-44-4 Molecular Formula|1042613-44-4 MDL|1042613-44-4 SMILES|1042613-44-4 2-{[4-(3-methylphenyl)piperazin-1-yl]sulfonyl}acetic acid