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13739-35-0,MFCD00094954
Catalog No.:AA00135K

13739-35-0 | 3-(p-Tolylthio)propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$195.00   $137.00
- +
25g
97%
in stock  
$550.00   $385.00
- +
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Technical Information
Catalog Number:
AA00135K
Chemical Name:
3-(p-Tolylthio)propanoic acid
CAS Number:
13739-35-0
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD00094954
SMILES:
OC(=O)CCSc1ccc(cc1)C
NSC Number:
64356
Properties
Properties
 
Form:
Solid  
MP:
67-71℃(lit.)  

Computed Properties
 
Complexity:
162  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.3  

Literature
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SDS
Tags:13739-35-0 Molecular Formula|13739-35-0 MDL|13739-35-0 SMILES|13739-35-0 3-(p-Tolylthio)propanoic acid