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324779-96-6,MFCD01795583
Catalog No.:AA00C5X9

324779-96-6 | 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}nicotinic acid

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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$170.00   $119.00
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Technical Information
Catalog Number:
AA00C5X9
Chemical Name:
2-{[(2E)-3-phenylprop-2-en-1-yl]thio}nicotinic acid
CAS Number:
324779-96-6
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
MDL Number:
MFCD01795583
SMILES:
OC(=O)c1cccnc1SC/C=C/c1ccccc1
Properties
Computed Properties
 
Complexity:
313  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.4  

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SDS
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Tags:324779-96-6 Molecular Formula|324779-96-6 MDL|324779-96-6 SMILES|324779-96-6 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}nicotinic acid