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876890-63-0,MFCD06091787
Catalog No.:AA004K57

876890-63-0 | 2-Methyl-3-(tetrahydrofuran-2-carboxamido)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
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Technical Information
Catalog Number:
AA004K57
Chemical Name:
2-Methyl-3-(tetrahydrofuran-2-carboxamido)benzoic acid
CAS Number:
876890-63-0
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD06091787
SMILES:
O=C(C1CCCO1)Nc1cccc(c1C)C(=O)O
Properties
Computed Properties
 
Complexity:
331  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.4  

Literature
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Additional Info:
SDS
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Tags:876890-63-0 Molecular Formula|876890-63-0 MDL|876890-63-0 SMILES|876890-63-0 2-Methyl-3-(tetrahydrofuran-2-carboxamido)benzoic acid