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
- +
  • Technical Information
  • Properties
  • Literature
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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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Literature
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SDS
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
Catalog No.: AA004K57
876890-63-0,MFCD06091787
876890-63-0 | 2-Methyl-3-(tetrahydrofuran-2-carboxamido)benzoic acid
Pack Size: 1g
Purity: 95%
in stock
$81.00 $57.00
Pack Size: 5g
Purity: 95%
in stock
$321.00 $225.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
Complexity: 331  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
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